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Cayman Chemical Company
Country:
USA
1180 E.Ellsworth Rd.
Ann Arbor, MI 48108
800-364-9897
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800-364-9897 (Customer Service)
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888-526-5351 (Technical Services)
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ADB-BUTINACA
CAS:2682867-55-4
Formula: C18H26N4O2
29350
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCC)C2=C1C=CC=C2
ADB-BUTINACA N-(4-HYDROXYBUTYL) METABOLITE
Formula: C18H26N4O3
30295
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCCO)C2=C1C=CC=C2
ADB-BUTINACA N-BUTANOIC ACID METABOLITE
Formula: C18H24N4O4
30294
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCC(O)=O)C2=C1C=CC=C2
ADB-BUTINACA-d9
Formula: C18H17D9N4O2
38341
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2
ADB-FUBIATA
CAS:2938025-73-9
Formula: C23H26FN3O2
35059
FC(C=C1)=CC=C1CN(C2=C3C=CC=C2)C=C3CC(N[C@@H](C(C)(C)C)C(N)=O)=O
ADB-FUBIATA 3,3-DIMETHYLBUTANOIC ACID METABOLITE
Formula: C23H25FN2O3
35222
FC(C=C1)=CC=C1CN(C2=C3C=CC=C2)C=C3CC(N[C@@H](C(C)(C)C)C(O)=O)=O
ADB-FUBICA
CAS:2748161-90-0
Formula: C22H24FN3O2
18756
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
ADB-FUBINAATA
Formula: C22H25FN4O2
36853
FC(C=C1)=CC=C1CN2N=C(CC(N[C@H](C(N)=O)C(C)(C)C)=O)C3=C2C=CC=C3
ADB-HEXINACA
Formula: C20H30N4O2
33820
O=C(N[C@@H](C(C)(C)C)C(N)=O)C1=NN(CCCCCC)C2=C1C=CC=C2
ADB-HEXINACA 3,3-DIMETHYLBUTANOIC ACID METABOLITE
Formula: C20H29N3O3
35567
O=C(N[C@@H](C(C)(C)C)C(O)=O)C1=NN(CCCCCC)C2=C1C=CC=C2
ADB-HEXINACA N-(6-HYDROXYHEXYL) METABOLITE
Formula: C20H30N4O3
35566
O=C(N[C@@H](C(C)(C)C)C(N)=O)C1=NN(CCCCCCO)C2=C1C=CC=C2
ADB-HEXINACA N-HEXANOIC ACID METABOLITE
Formula: C20H28N4O4
35773
O=C(N[C@@H](C(C)(C)C)C(N)=O)C1=NN(CCCCCC(O)=O)C2=C1C=CC=C2
ADB-IATA
Formula: C16H21N3O2
37053
NC([C@H](C(C)(C)C)NC(CC1=CNC2=C1C=CC=C2)=O)=O
ADB-ICA
Formula: C15H19N3O2
39952
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=CNC2=CC=CC=C12
ADB-INACA
CAS:1887742-42-8
Formula: C14H18N4O2
37729
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NNC2=C1C=CC=C2
ADB-P7AICA
CAS:2366273-07-4
Formula: C19H28N4O2
34352
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=CN(CCCCC)C2=C1C=CC=N2
ADB-PHETINACA
Formula: C22H26N4O2
33194
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCC2=CC=CC=C2)C3=C1C=CC=C3
ADB-PINACA ISOMER 1
Formula: C19H28N4O2
9.00153e+006
O=C(NC(C(N)=O)(C)C(C)C)C1=NN(CCCCC)C2=C1C=CC=C2
ADB-PINACA ISOMER 2
Formula: C19H28N4O2
9.00153e+006
O=C(N[C@H](C(N)=O)[C@@H](C)CC)C1=NN(CCCCC)C2=C1C=CC=C2
ADB-PINACA ISOMER 3
Formula: C19H28N4O2
9.00153e+006
O=C(N[C@H](C(N)=O)CCCC)C1=NN(CCCCC)C2=C1C=CC=C2
ADB-PINACA ISOMER 4
Formula: C19H28N4O2
9.00199e+006
O=C(N[C@H](C(N)=O)CC(C)C)C1=NN(CCCCC)C2=C1C=CC=C2
ADB-PINACA N-(4-HYDROXYPENTYL) METABOLITE
CAS:2748155-91-9
Formula: C19H28N4O3
15053
O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CCCC(O)C)C2=C1C=CC=C2
ADB-PINACA N-(5-HYDROXYPENTYL) METABOLITE
CAS:2748161-03-5
Formula: C19H28N4O3
15054
O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CCCCCO)C2=C1C=CC=C2
ADB-PINACA PENTANOIC ACID METABOLITE
CAS:2460433-29-6
Formula: C19H26N4O4
15055
O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CCCCC(O)=O)C2=C1C=CC=C2
ADBICA N-(4-HYDROXYPENTYL) METABOLITE
CAS:2460433-26-3
Formula: C20H29N3O3
15240
CC(O)CCCN1C=C(C(NC(C(C)(C)C)C(N)=O)=O)C2=C1C=CC=C2
ADBICA N-(5-HYDROXYPENTYL) METABOLITE
CAS:2460433-27-4
Formula: C20H29N3O3
15060
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CCCCCO)C2=C1C=CC=C2
ADBICA N-PENTANOIC ACID METABOLITE
CAS:2460433-28-5
Formula: C20H27N3O4
15061
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CCCCC(O)=O)C2=C1C=CC=C2
ADBICA-D9
CAS:2747914-01-6
Formula: C20H20D9N3O2
15280
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2
ADEFOVIR DIPIVOXIL
CAS:142340-99-6
Formula: C20H32N5O8P
28373
O=C(OCOP(OCOC(C(C)(C)C)=O)(COCCN1C2=NC=NC(N)=C2N=C1)=O)C(C)(C)C
ADENINE (HEMISULFATE)
CAS:321-30-2
Formula: C5H5N5 • 1/2H2O4S
18148
NC(NC=N1)=C2C1=NC=N2.OS(O)(=O)=O
Adenine-15N5 (hydrochloride hydrate)
Formula: C5H5[15N]5 • HCl [1/2H2O]
41181
[15NH2]C1=[15N]C=[15N]C2=C1[15NH]C=[15N]2.Cl.O
ADENOSINE
CAS:58-61-7
Formula: C10H13N5O4
21232
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O1
ADENOSINE 2'(3')-MONOPHOSPHATE
Formula: C10H14N5O7P
16062
O[C@H]1[C@@H](OP(O)(O)=O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1CO.O[C@H]4[C@H](N5C=NC6=C5N=CN=C6N)O[C@H](CO)[C@H]4OP(O)(O)=O
ADENOSINE 3',5'-DIPHOSPHATE (SODIUM SALT)
CAS:75431-54-8
Formula: C10H15N5O10P2 • 2Na
24265
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(O)(O)=O)[C@H]1OP(O)(O)=O.[Na].[Na]
ADENOSINE 3'-MONOPHOSPHATE (SODIUM SALT HYDRATE)
Formula: C10H14N5O7P • XNa [XH2O]
26256
OC[C@@H]1[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O1.[Na].O
ADENOSINE 5'-(?-THIO)-TRIPHOSPHATE (LITHIUM SALT)
CAS:93839-89-5
Formula: C10H12N5O12P3S • 4Li
14957
O=P(OP(OP([O-])([O-])=S)([O-])=O)([O-])OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O1.[Li+].[Li+].[Li+].[Li+]
ADENOSINE 5'-DIPHOSPHATE
CAS:58-64-0
Formula: C10H15N5O10P2
16778
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(O)(O)=O)(O)=O)[C@H]1O
ADENOSINE 5'-DIPHOSPHATE (POTASSIUM SALT HYDRATE)
Formula: C10H15N5O10P2 • K [XH2O]
21121
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(O)(O)=O)(O)=O)[C@H]1O.[K].O
ADENOSINE 5'-METHYLENEDIPHOSPHATE (HYDRATE)
Formula: C11H17N5O9P2 • XH2O
34504
O[C@H]1[C@](O[C@@H]([C@H]1O)COP(CP(O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2.O
Adenosine 5'-methylenediphosphate (sodium salt)
CAS:2659222-76-9
Formula: C11H14N5O9P2 • 3Na
38359
O=P([O-])([O-])CP(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C3=NC=NC(N)=C3N=C2)O1)([O-])=O.[Na+].[Na+].[Na+]
ADENOSINE 5'-MONOPHOSPHATE (SODIUM SALT HYDRATE)
CAS:149022-20-8
Formula: C10H14N5O7P • XNa [XH2O]
21094
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP(O)(O)=O.[Na].O
ADENOSINE 5'-PHOSPHOSULFATE (SODIUM SALT)
CAS:102029-95-8
Formula: C10H14N5O10PS • 2Na
21226
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OS(O)(=O)=O)(O)=O)[C@H]1O.[Na].[Na]
ADENOSINE 5'-TRIPHOSPHATE (SODIUM SALT)
CAS:987-65-5
Formula: C10H14N5O13P3 • 2Na
14498
O[C@H]1[C@@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2)O[C@@H]1COP(OP(OP([O-])(O)=O)([O-])=O)(O)=O.[Na+].[Na+]
Adenosine 5'-triphosphate (sodium salt) (solution)
CAS:987-65-5
Formula: C10H14N5O13P3 • 2Na
40182
O[C@H]1[C@@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2)O[C@@H]1COP(OP(OP([O-])(O)=O)([O-])=O)(O)=O.[Na+].[Na+]
ADENOSINE AMINE CONGENER
CAS:96760-69-9
Formula: C28H32N8O6
34394
O[C@H]1[C@](O[C@@H]([C@H]1O)CO)([H])N2C3=NC=NC(NC4=CC=C(C=C4)CC(NC5=CC=C(C=C5)CC(NCCN)=O)=O)=C3N=C2
ADENOSINE DIALDEHYDE
CAS:34240-05-6
Formula: C10H11N5O4
15644
O=C([H])C(N1C=NC2=C1N=CN=C2N)OC(C([H])=O)CO
ADENOSINE KINASE INHIBITOR (HYDRATE)
Formula: C22H19BrN6O • XH2O
17569
BrC1=CC=CC(C2=CC(C3=CN=C(N4CCOCC4)C=C3)=NC5=C2C(N)=NC=N5)=C1.O
Adenosine-5'-O-(2-thiodiphosphate) (sodium salt)
Formula: C10H12N5O9P2S • 3Na
38360
O[C@@H]1[C@@H](COP(OP([S-])([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H]1O.[Na+].[Na+].[Na+]
Adenosine-5'-O-(3-thiotriphosphate) (sodium salt)
CAS:88453-52-5
Formula: C10H12N5O12P3S • 4Na
38635
O[C@@H]1[C@@H](COP(OP(OP([O-])([S-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
Adenosine-5'-O-diphospho-(1''-(4-nitrophenoxy)-ribose) (sodium salt)
Formula: C21H24N6O16P2 • 2Na
38357
O=P(OP(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)([O-])=O)([O-])OC[C@@H]4[C@@H](O)[C@@H](O)[C@H](OC5=CC=C([N+]([O-])=O)C=C5)O4.[Na+].[Na+]
Adenosine-5'-O-diphosphoribose phosphate (sodium salt)
Formula: C15H20N5O17P3 • 4Na
38358
O=P(OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)([O-])OP(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP([O-])([O-])=O)[C@@H]1O)([O-])=O.[Na+].[Na+].[Na+].[Na+]
Adenosine-5'-O-triphosphoro-?-1-(5-sulfonic acid)naphthylamidate (sodium salt)
Formula: C20H20N6O15P3S • 3Na
38537
[O-]P(NC1=CC=CC2=C1C=CC=C2S(O)(=O)=O)(OP([O-])(OP([O-])(OC[C@H]3O[C@H]([C@@H]([C@@H]3O)O)N4C=NC5=C(N=CN=C54)N)=O)=O)=O.[Na+].[Na+].[Na+]
ADENYLOSUCCINIC ACID
CAS:19046-78-7
Formula: C14H18N5O11P
29696
OP(OC[C@H]([C@@H](O)[C@H]1O)O[C@@]1([H])N2C=NC3=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C32)(O)=O
ADENYLOSUCCINIC ACID (AMMONIUM SALT)
Formula: C14H14N5O11P • 4NH4
34334
[O-]P(OC[C@H]([C@@H](O)[C@H]1O)O[C@@]1([H])N2C=NC3=C(N[C@@H](CC([O-])=O)C([O-])=O)N=CN=C32)([O-])=O.[NH4+].[NH4+].[NH4+].[NH4+]
ADH-1
CAS:229971-81-7
Formula: C22H34N8O6S2
29981
O=C1[C@H](C(C)C)NC([C@H](C)NC([C@H](CC2=CN=CN2)NC([C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)N1)=O)=O)=O
ADHP
CAS:119171-73-2
Formula: C14H11NO4
1.00105e+007
Oc1ccc2c(c1)Oc1cc(O)ccc1N2C(=O)C
ADIPHENINE (HYDROCHLORIDE)
CAS:50-42-0
Formula: C20H25NO2 • HCl
31124
O=C(OCCN(CC)CC)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
ADIPORON
CAS:924416-43-3
Formula: C27H28N2O3
15941
O=C(C1=CC=C(OCC(NC2CCN(CC3=CC=CC=C3)CC2)=O)C=C1)C4=CC=CC=C4
ADIPOSTATIN A
CAS:3158-56-3
Formula: C21H36O2
22163
OC1=CC(O)=CC(CCCCCCCCCCCCCCC)=C1
ADIPOYL-COENZYME A (SODIUM SALT)
Formula: C27H44N7O19P3S • XNa
27858
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCC(O)=O)=O)=O)=O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.[Na]
ADJUDIN
CAS:252025-52-8
Formula: C15H12Cl2N4O
22939
O=C(NN)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C3=CC=CC=C31
ADL 08-0011 (HYDROCHLORIDE)
CAS:170098-43-8
Formula: C23H29NO3 • HCl
34298
C[C@]1(C2=CC(O)=CC=C2)[C@H](CN(CC1)C[C@@H](C(O)=O)CC3=CC=CC=C3)C.Cl
ADL5859 (HYDROCHLORIDE)
CAS:850173-95-4
Formula: C24H28N2O3 • HCl
27796
O=C(N(CC)CC)C(C=C1)=CC=C1C2=CC3(CCNCC3)OC4=CC=CC(O)=C42.Cl
Adomeglivant
CAS:1488363-78-5
Formula: C32H36F3NO4
29668
CC(C)(C)C1=CC=C(C2=C(C)C=C(O[C@H](C3=CC=C(C(NCCC(O)=O)=O)C=C3)CCC(F)(F)F)C=C2C)C=C1
ADP-GLUCOSE (SODIUM SALT)
CAS:102129-65-7
Formula: C16H23N5O15P2 • 2Na
18139
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)([O-])=O)([O-])=O)[C@H]1O.[Na+].[Na+]
ADRAFINIL
CAS:63547-13-7
Formula: C15H15NO3S
19773
O=S(CC(NO)=O)C(C1=CC=CC=C1)C2=CC=CC=C2
ADRENOMEDULLIN (1-12) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C64H100N22O19S • XCF3COOH
24890
[H]N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)CCSC)=O)=O)=O)=O)CC2=CC=C(O)C=C2.FC(
ADRENOMEDULLIN (1-50) AMIDE (RAT) (TRIFLUOROACETATE SALT)
Formula: C242H381N77O75S5 • XCF3COOH
27208
NC([C@@H](NC(CNC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CO)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCCN)NC([C@H](CC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@@H]2CCCN2C([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@@]([C@@H](C)O)([
ADRENOMEDULLIN (1-52) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C264H406N80O77S3 • XCF3COOH
24889
NC([C@@H](NC(CNC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CO)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@@H]2CCCN2C([C@@H](NC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@@](
ADRENOMEDULLIN (1-52) (PORCINE) (TRIFLUOROACETATE SALT)
Formula: C262H403N79O76S3 • XCF3COOH
27406
O=C(O)C(F)(F)F.[H]N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@
ADRENOMEDULLIN (11-50) (RAT) (TRIFLUOROACETATE SALT)
Formula: C194H304N58O59S4 • XCF3COOH
27124
NC([C@@H](NC(CNC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CO)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCCN)NC([C@H](CC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@@H]2CCCN2C([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@@]([C@@H](C)O)([
ADRENOMEDULLIN (13-52) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C200H308N58O59S2 • XCF3COOH
24891
NC([C@@H](NC(CNC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CO)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@@H]2CCCN2C([C@@H](NC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@@](
ADRENOMEDULLIN (22-52) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C159H252N46O48 • XCF3COOH
24892
NC([C@@H](NC(CNC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CO)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@@H]2CCCN2C([C@@H](NC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@H](CCCCN)NC([C@@H](NC([C@@](
Adrenorphin (human, mouse, rat, bovine) (trifluoroacetate salt)
Formula: C44H69N15O9 • XCF3COOH
35826
CC(C)[C@@H](C(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCSC)NC([C@@H](NC(CNC(CNC([C@@H](N)CC1=CC=C(C=C1)O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)=O)=O.OC(C(F)(F)F)=O
ADT-OH
CAS:18274-81-2
Formula: C9H6OS3
17102
OC1=CC=C(C2=CC(SS2)=S)C=C1
ADTL-EI1712
CAS:2414916-45-1
Formula: C22H18Cl2N4O2S2
30602
O=C(C1=C(NC(C2=CC=CC=C2Cl)=O)SC3=C1CCN(C(NC4=CC=CC=C4Cl)=S)C3)N
ADX-47273
CAS:851881-60-2
Formula: C20H17F2N3O2
17987
FC1=CC=C(C2=NOC([C@@H]3CN(C(C4=CC=C(F)C=C4)=O)CCC3)=N2)C=C1
AEE788
CAS:497839-62-0
Formula: C27H32N6
18416
C[C@@H](NC1=C(C=C(C2=CC=C(CN3CCN(CC)CC3)C=C2)N4)C4=NC=N1)C5=CC=CC=C5
AEG 3482
CAS:63735-71-7
Formula: C10H8N4O2S2
26213
NS(C1=NN2C(S1)=NC(C3=CC=CC=C3)=C2)(=O)=O
AEM1
CAS:1030123-90-0
Formula: C20H14FN3O2S
18321
FC(C=C1)=CC=C1C2=CSC3=C2C(NCC4=CC=C(OCO5)C5=C4)=NC=N3
AEP-CHMINACA
Formula: C20H28N4O2
23706
O=C(N[C@H](C(N)=O)CCC)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
AEP-PINACA
Formula: C18H26N4O2
23707
O=C(N[C@H](C(N)=O)CCC)C1=NN(CCCCC)C2=C1C=CC=C2
AEROTHIONIN
CAS:28714-26-3
Formula: C24H26Br4N4O8
18459
O=C(NCCCCNC(C1=NO[C@@]2([C@@H](O)C(Br)=C(OC)C(Br)=C2)C1)=O)C3=NO[C@@]4([C@@H](O)C(Br)=C(OC)C(Br)=C4)C3
AERUGINASCIN
CAS:114264-95-8
Formula: C13H19N2O4P
31582
O=P(OC1=CC=CC2=C1C(CC[N+](C)(C)C)=CN2)([O-])O
Aeruginascin-d3
Formula: C13H16D3N2O4P
37124
O=P(O)(OC1=CC=CC2=C1C(CC[N+](C)(C)C([2H])([2H])[2H])=CN2)[O-]
AES-350
CAS:847249-57-4
Formula: C18H20N2O3
30607
CC(C)(C)C1=CC=C(C(NC2=CC=C(C(NO)=O)C=C2)=O)C=C1
AESCIN
Formula: C55H86O24 (for ß-Aescin)
28815
CC1(C)[C@@H](OC(/C(C)=C/C)=O)[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@](C)(CO)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](C(O)=O)O6)CC[C@]5(C)[C
AF-353 (hydrochloride)
CAS:927887-18-1
Formula: C14H17IN4O2 • HCl
23034
COC1=CC(C(C)C)=C(OC2=C(N)N=C(N)N=C2)C=C1I.Cl
AF-DX 116
CAS:102394-31-0
Formula: C24H31N5O2
30871
O=C1NC(C=CC=N2)=C2N(C(CN3CCCCC3CN(CC)CC)=O)C4=C1C=CC=C4
AF-DX 384
CAS:118290-26-9
Formula: C27H38N6O2
25638
O=C1NC(C=CC=N2)=C2N(C(NCCN3C(CN(CCC)CCC)CCCC3)=O)C4=C1C=CC=C4
AF3485
CAS:1195786-61-8
Formula: C22H17F3N2O2
9.00196e+006
OCCN(C1=C2C=CC=C1)C3=C2C=C(NC(C4=CC=CC=C4C(F)(F)F)=O)C=C3
AF38469
CAS:1531634-31-7
Formula: C15H11F3N2O3
35530
O=C(C1=C(C(NC2=CC=CC(C)=N2)=O)C=CC(C(F)(F)F)=C1)O
AF64394
CAS:1637300-25-4
Formula: C21H20ClN5O
36826
ClC1=CC=C(CNC2=CC(C3=CC=CC=C3)=NC4=NC=NN42)C(OC(C)C)=C1
AFATINIB
CAS:850140-72-6
Formula: C24H25ClFN5O3
11492
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
AFATINIB (MALEATE)
CAS:850140-73-7
Formula: C24H25ClFN5O3 • 2C4H4O4
21567
FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=C2C=C(NC(/C=C/CN(C)C)=O)C(O[C@@H]4COCC4)=C3.OC(/C=C\C(O)=O)=O.OC(/C=C\C(O)=O)=O
AFATINIB-D6
CAS:1313874-96-2
Formula: C24H19ClD6FN5O3
22552
FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=C2C=C(NC(/C=C/CN(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C(O[C@@H]4COCC4)=C3
AFICAMTEN
CAS:2364554-48-1
Formula: C18H19N5O2
36304
O=C(C1=CN(C)N=C1)N[C@H]2C3=CC=C(C4=NOC(CC)=N4)C=C3CC2
AFN-1252
CAS:620175-39-5
Formula: C22H21N3O3
24686
O=C1CCC2=CC(/C=C/C(N(CC3=C(C)C(C=CC=C4)=C4O3)C)=O)=CNC2=N1
AFOBAZOLE (HYDROCHLORIDE)
CAS:173352-39-1
Formula: C15H21N3O2S • HCl
22923
CCOC1=CC=C(N=C(SCCN2CCOCC2)N3)C3=C1.Cl
AFOXOLANER
CAS:1093861-60-9
Formula: C26H17ClF9N3O3
33317
O=C(C1=C2C=CC=CC2=C(C3=NOC(C(F)(F)F)(C4=CC(Cl)=CC(C(F)(F)F)=C4)C3)C=C1)NCC(NCC(F)(F)F)=O
AFTIN-4
CAS:866893-90-5
Formula: C20H28N6O
27341
CC(C)N1C2=NC(N[C@@H](CO)CC)=NC(N(C)CC3=CC=CC=C3)=C2N=C1
AFUB7AICA
CAS:2810271-54-4
Formula: C25H26FN3O
31185
O=C(C1=CN(CC2=CC=C(F)C=C2)C3=C1C=CC=N3)NC45C[C@H](C[C@H](C5)C6)C[C@H]6C4
AFUB7AICA 7'-AZAINDOLE ISOMER
CAS:2809146-29-8
Formula: C25H26FN3O
32989
O=C(C1=CN=C2C1=CC=CN2CC3=CC=C(F)C=C3)NC45C[C@H](C[C@H](C5)C6)C[C@H]6C4
AFUBIATA
CAS:2985275-14-5
Formula: C27H29FN2O
36992
O=C(NC1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)CC4=CN(CC5=CC=C(F)C=C5)C6=C4C=CC=C6
AFURESERTIB (HYDROCHLORIDE)
CAS:1047645-82-8
Formula: C18H17Cl2FN4OS • HCl
17988
FC1=CC=CC(C[C@@H](CN)NC(C2=CC(C3=C(Cl)C=NN3C)=C(Cl)S2)=O)=C1.Cl
AFZELIN
CAS:482-39-3
Formula: C21H20O10
31135
OC1=C2C(OC(C3=CC=C(O)C=C3)=C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C2=O)=CC(O)=C1
AG-041R
CAS:159883-95-1
Formula: C31H36N4O5
1.00101e+007
CC1=CC=C(NC(N[C@@]2(C3=C(C=CC=C3)N(CC(OCC)OCC)C2=O)CC(NC4=CC=C(C)C=C4)=O)=O)C=C1
AG-1024
CAS:65678-07-1
Formula: C14H13BrN2O
14833
BrC1=C(O)C(C(C)(C)C)=CC(/C=C(C#N)/C#N)=C1
AG-120
CAS:1448347-49-6
Formula: C28H22ClF3N6O3
19894
O=C1CC[C@@H](C(N([C@H](C(NC2CC(F)(F)C2)=O)C3=C(Cl)C=CC=C3)C4=CC(F)=CN=C4)=O)N1C5=NC=CC(C#N)=C5
AG-1295
CAS:71897-07-9
Formula: C16H14N2
14529
CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3
AG-1296
CAS:146535-11-7
Formula: C16H14N2O2
1.00106e+007
COc1cc2nc(cnc2cc1OC)c1ccccc1
AG-14361
CAS:328543-09-5
Formula: C19H20N4O
24677
O=C1NCCN2C3=C1C=CC=C3N=C2C4=CC=C(CN(C)C)C=C4
AG-1478
CAS:153436-53-4
Formula: C16H14ClN3O2
1.00102e+007
COc1cc2c(ncnc2cc1OC)Nc1cccc(Cl)c1
AG-1557
CAS:189290-58-2
Formula: C16H14IN3O2
17989
IC1=CC(NC2=NC=NC3=CC(OC)=C(OC)C=C32)=CC=C1
AG-18
CAS:118409-57-7
Formula: C10H6N2O2
1.00103e+007
N#CC(=Cc1ccc(O)c(O)c1)C#N
AG-183
CAS:122520-90-5
Formula: C13H8N4O3
1.00103e+007
OC1=C(O)C(O)=CC(/C=C(C#N)/C(N)=C(C#N)\C#N)=C1
AG-213
CAS:122520-86-9
Formula: C10H8N2O2S
1.00103e+007
N#C/C(=C\c1ccc(O)c(O)c1)/C(=S)N
AG-270
CAS:2201056-66-6
Formula: C30H27N5O2
36246
O=C1C(C2=CC=C(OC)C=C2)=C(NC3=C(C4=CCCCC4)C(C5=CC=CC=C5)=NN13)NC6=CC=CC=N6
AG-370
CAS:134036-53-6
Formula: C15H9N5
1.00106e+007
c12c(ccc(c1)/C=C(\C(=C(\C#N)C#N)N)C#N)[nH]cc2
AG-528
CAS:133550-49-9
Formula: C18H14N2O3
29666
O=C(/C(C#N)=C/C1=CC(O)=C(O)C=C1)N2CCC3=CC=CC=C32
AG-555
CAS:133550-34-2
Formula: C19H18N2O3
23247
O=C(/C(C#N)=C/C1=CC=C(O)C(O)=C1)NCCCC2=CC=CC=C2
AG-556
CAS:133550-41-1
Formula: C20H20N2O3
33335
O=C(NCCCCC1=CC=CC=C1)/C(C#N)=C/C2=CC(O)=C(C=C2)O
AG-636
CAS:1623416-31-8
Formula: C21H17N3O2
36122
O=C(C1=CC(C2=CC=C(C3=C(C)C=CC=C3)C=C2)=CC4=C1N(C)N=N4)O
AG-82
CAS:118409-58-8
Formula: C10H6N2O3
1.00103e+007
OC1=CC(/C=C(C#N)/C#N)=CC(O)=C1O
AG-825
CAS:149092-50-2
Formula: C19H15N3O3S2
1.00102e+007
OC(C(OC)=CC(C=C(C#N)C(N)=O)=C1)=C1CSC2=NC3=CC=CC=C3S2
AG-879
CAS:148741-30-4
Formula: C18H24N2OS
10793
CC(C)(C)C1=C(O)C(C(C)(C)C)=CC(/C=C(C(N)=S)\C#N)=C1
AG-99
CAS:122520-85-8
Formula: C10H8N2O3
1.00103e+007
N#C/C(=C\c1ccc(O)c(O)c1)/C(=O)N
AG957
CAS:140674-76-6
Formula: C15H15NO4
17259
OC1=C(CNC2=CC=C(C(OC)=O)C=C2)C=C(O)C=C1
AGAROTETROL
CAS:69809-22-9
Formula: C17H18O6
27662
O=C(C=C(CCC1=CC=CC=C1)O2)C3=C2[C@@H](O)[C@H](O)[C@H](O)[C@H]3O
AGI-6780
CAS:1432660-47-3
Formula: C21H18F3N3O3S2
14639
O=S(C1=CC(NC(NC2=CC=CC(C(F)(F)F)=C2)=O)=C(C3=CSC=C3)C=C1)(NC4CC4)=O
AGISTATIN B
CAS:144096-46-8
Formula: C11H18O4
26600
CC[C@@H]1CC[C@]2([H])O[C@@]3([H])C[C@H](O)[C@]2(O)[C@]1([H])O3
AGISTATIN D
CAS:144096-47-9
Formula: C11H14O4
29169
O=C(C=CO1)[C@@]2(O)C1=CC[C@@H](CC)[C@H]2O
AGISTATIN E
CAS:144096-48-0
Formula: C11H16O5
29211
CC[C@@H]1CC[C@@]([C@@]2(O)[C@@]1([H])O3)(O)O[C@@]3([H])CC2=O
AGK2
CAS:304896-28-4
Formula: C23H13Cl2N3O2
13145
O=C(/C(C#N)=C/C1=CC=C(C2=CC(Cl)=CC=C2Cl)O1)NC3=C(C=CC=N4)C4=CC=C3
AGK7
CAS:304896-21-7
Formula: C23H13Cl2N3O2
16152
O=C(/C(C#N)=C/C1=CC=C(C2=CC(Cl)=CC=C2Cl)O1)NC3=CC=CC4=C3N=CC=C4
AGL 2263
CAS:638213-98-6
Formula: C17H10N2O5
21776
OC1=CC=C(C(/C(C#N)=C/C2=CC=C(OC(N3[H])=O)C3=C2)=O)C=C1O
AGMATINE (SULFATE)
CAS:2482-00-0
Formula: C5H14N4 • H2SO4
23513
NC(NCCCCN)=N.O=S(O)(O)=O
AGN 193109 (SODIUM SALT)
CAS:2319838-82-7
Formula: C28H23O2 • Na
23975
CC(C=C1)=CC=C1C2=CCC(C)(C)C3=C2C=C(C#CC4=CC=C(C([O-])=O)C=C4)C=C3.[Na+]
AGN 193109-D7
CAS:1216429-25-2
Formula: C28H17D7O2
23976
CC1(C)C2=C(C=C(C#CC3=CC=C(C(O)=O)C=C3)C=C2)C(C4=C([2H])C([2H])=C(C([2H])([2H])[2H])C([2H])=C4[2H])=CC1
AGNUSIDE
CAS:11027-63-7
Formula: C22H26O11
24971
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@](O[C@H]2[C@@](C(COC(C3=CC=C(O)C=C3)=O)=C[C@H]4O)([H])[C@@]4([H])C=CO2)([H])O1
AGOMELATINE
CAS:138112-76-2
Formula: C15H17NO2
13203
COc1ccc2cccc(CCNC(=O)C)c2c1
AGOMELATINE-D6
CAS:1079389-42-6
Formula: C15H11D6NO2
26447
O=C(C([2H])([2H])[2H])NCCC1=CC=CC2=C1C=C(OC([2H])([2H])[2H])C=C2
AGONODEPSIDE B
CAS:445298-41-9
Formula: C24H26O7
32930
C/C=C(C)/C(C=C1OC(C2=C(C=C(C(C)=C2O)O)/C(C)=C/C)=O)=C(C(O)=C1C)C(O)=O
AGRIMOL B
CAS:55576-66-4
Formula: C37H46O12
34996
OC(C(CC1=C(C(C(CCC)=O)=C(C(C)=C1O)OC)O)=C(C(C([C@@H](C)CC)=O)=C2O)O)=C2CC3=C(C(C(CCC)=O)=C(C(C)=C3O)OC)O
AH 10639 (phosphate)
CAS:84176-65-8
Formula: C12H18N6 • H3PO4
41043
O=P(O)(O)O.NC1=C2N=C(C(C)C)C(C(C)C)=NC2=NC(N)=N1
AH 23848 (CALCIUM SALT)
CAS:81496-19-7
Formula: C29H34NO5 • 1/2Ca
19023
O=C1C[C@H](OCC2=CC=C(C3=CC=CC=C3)C=C2)[C@H](CC/C=C\CCC([O-])=O)[C@H]1N4CCOCC4.O=C5C[C@H](OCC6=CC=C(C7=CC=CC=C7)C=C6)[C@H](CC/C=C\CCC([O-])=O)[C@H]5N8CCOCC8.[Ca+2]
AH 6809
CAS:33458-93-4
Formula: C17H14O5
14050
CC(OC1=CC(OC2=CC=C(C(O)=O)C=C2C3=O)=C3C=C1)C
AH 7563
CAS:63886-94-2
Formula: C16H24N2O
19335
O=C(NCC1(N(C)C)CCCCC1)C2=CC=CC=C2
AH 7614
CAS:6326-06-3
Formula: C20H17NO3S
17713
CC1=CC=C(S(NC2C(C=CC=C3)=C3OC4=C2C=CC=C4)(=O)=O)C=C1
AH 7921-D3
CAS:2416676-30-5
Formula: C16H19Cl2D3N2O
33723
ClC1=C(Cl)C([2H])=C([2H])C(C(NCC2(N(C)C)CCCCC2)=O)=C1[2H]ClC1=C(Cl)C([2H])=C([2H])C(C(NCC2(N(C)C)CCCCC2)=O)=C1[2H]
AH 7959
CAS:763023-14-9
Formula: C19H26Cl2N2O
19366
ClC1=C(Cl)C=CC(C(NCC2(N3CCCCC3)CCCCC2)=O)=C1
AH 8507
CAS:41805-63-4
Formula: C19H27Cl2N3O
19367
ClC1=C(Cl)C=CC(C(NCC2(N3CCN(C)CC3)CCCCC2)=O)=C1
AH 8529
CAS:41805-00-9
Formula: C16H23ClN2O
19368
ClC1=CC=C(C(NCC2(N(C)C)CCCCC2)=O)C=C1
AH 8532
CAS:786581-55-3
Formula: C16H23ClN2O
19338
O=C(NCC1(N(C)C)CCCCC1)C2=CC=CC(Cl)=C2
AH 8533
CAS:759397-79-0
Formula: C16H23ClN2O
19336
O=C(NCC1(N(C)C)CCCCC1)C2=CC=CC=C2Cl
AHU377
CAS:149709-62-6
Formula: C24H29NO5
36260
C[C@@H](C(OCC)=O)C[C@H](NC(CCC(O)=O)=O)CC1=CC=C(C2=CC=CC=C2)C=C1
AICA RIBONUCLEOTIDE
CAS:3031-94-5
Formula: C9H15N4O8P
33907
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]([H])(N2C=NC(C(N)=O)=C2N)[C@@H]1O
AICAR
CAS:2627-69-2
Formula: C9H14N4O5
1.00102e+007
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(N)=C(C(N)=O)N=C2)O1
AIM 100
CAS:873305-35-2
Formula: C23H21N3O2
29487
C1(NC[C@H]2OCCC2)=C(C(C3=CC=CC=C3)=C(C4=CC=CC=C4)O5)C5=NC=N1
AJ2-30
CAS:2700322-79-6
Formula: C23H22N4
40667
CCN1C(C(C2=CC=CC=C21)=C3)=CC=C3CNC4=NC5=CC=CC=C5N4C
AJMALICINE
CAS:483-04-5
Formula: C21H24N2O3
31213
O=C(OC)C1=CO[C@@H](C)[C@]2([H])[C@]1([H])C[C@]3([H])N(CCC4=C3NC5=CC=CC=C45)C2
AJMALINE
CAS:4360-12-7
Formula: C20H26N2O2
29962
CN1C2=C(C=CC=C2)C3([C@H](O)[C@]45[H])C[C@]4([H])N6[C@H](O)[C@@H](CC)[C@]5([H])C[C@@]6([H])[C@@]31[H]
AK-1
CAS:330461-64-8
Formula: C19H21N3O5S
21276
O=C(NC1=CC([N+]([O-])=O)=CC=C1)C2=CC(S(N3CCCCCC3)(=O)=O)=CC=C2
AK-7
CAS:420831-40-9
Formula: C19H21BrN2O3S
14004
O=C(NC1=CC(Br)=CC=C1)C2=CC(S(N3CCCCCC3)(=O)=O)=CC=C2
AKB48 N-(4-FLUOROBENZYL) ANALOG
CAS:2180933-90-6
Formula: C25H26FN3O
15937
O=C(NC1(C[C@H]2C3)C[C@H]3C[C@H](C2)C1)C4=NN(CC5=CC=C(F)C=C5)C6=C4C=CC=C6
AKB48 N-PENTANOIC ACID METABOLITE
CAS:1630022-94-4
Formula: C23H29N3O3
14224
O=C(NC12C[C@H]3C[C@H](C[C@@H](C2)C3)C1)C4=NN(CCCCC(O)=O)C5=C4C=CC=C5
AKI-603
CAS:1432515-73-5
Formula: C19H23N9O2
40840
CN(CC1)CCN1C2=NC(NC(C=C3)=CC=C3[N+]([O-])=O)=NC(NC4=NNC(C)=C4)=C2
AKOS B018304
CAS:6308-22-1
Formula: C10H6N2O3S2
35694
O=[N](C1=C(C=CC=C1)C=C(C(N2)=O)SC2=S)=O
AKP-11
CAS:1220973-37-4
Formula: C22H22ClN3O5
27670
ClC1=C(OCCC)C=CC(C2=NC(C3=CC=C(OC(C(CO)(N)CO)=C4)C4=C3)=NO2)=C1
AKT INHIBITOR IV
CAS:681281-88-9
Formula: C31H27N4S • I
15569
CC[N+]1=C(/C=C/N(C2=CC=CC=C2)C)N(C3=CC=CC=C3)C4=CC=C(C5=NC(C=CC=C6)=C6S5)C=C41.[I-]
AKT INHIBITOR VIII
CAS:612847-09-3
Formula: C34H29N7O
14870
O=C1NC2=C(C=CC=C2)N1C(CC3)CCN3CC4=CC=C(C5=NC(C=C(NC=N6)C6=C7)=C7N=C5C8=CC=CC=C8)C=C4
AKT INHIBITOR X
CAS:925681-41-0
Formula: C20H25ClN2O • HCl
14863
ClC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCCCN(CC)CC.Cl
AKT INHIBITOR XI
CAS:902779-59-3
Formula: C11H9Cl2CuN3O2S
18604
O=C1C2=CC=CC=C2OC=C1/C=[N](NC(N)=[S]3)\[Cu+2]3([Cl-])[Cl-]
Akt Substrate (trifluoroacetate salt)
Formula: C36H59N13O9 • XCF3COOH
36759
OC([C@H](CC1=CC=CC=C1)NC([C@H]([C@H](O)C)NC([C@H](C)NC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H]2N(C([C@H](CCCNC(N)=N)N)=O)CCC2)=O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
AKT-I-1
CAS:473382-39-7
Formula: C22H30N6
41016
CN(CC(C)(CNC1=NN2C(C=C1C3CCC3)=NN=C2C4=CC=CC=C4)C)C
AKUAMMINE
CAS:3512-87-6
Formula: C22H26N2O4
35149
COC([C@@]12[C@]34[C@](N(C5=CC=C(O)C=C54)C)(OC2)[C@](N(C/6)CC3)([H])C[C@H]1C6=C/C)=O
AL 082D06
CAS:256925-03-8
Formula: C23H24ClN3O2
23455
CN(C)C1=CC=C(C(C2=C(Cl)C=CC([N+]([O-])=O)=C2)C3=CC=C(N(C)C)C=C3)C=C1
AL 34662 (formate)
Formula: C10H13N3O • CH2O2
40489
O=CO.OC1=CC=C(C=NN2C[C@@H](N)C)C2=C1
AL 8810
CAS:246246-19-5
Formula: C24H31O4F
16735
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@H](O)C2CC3=CC=CC=C3C2)[C@@H](F)C1
AL 8810 ETHYL AMIDE
Formula: C26H36FNO3
1.00105e+007
O[C@@H]1[C@H](C/C=C\CCCC(NCC)=O)[C@@H](/C=C/[C@H](O)C2CC3=CC=CC=C3C2)[C@@H](F)C1
AL 8810 ISOPROPYL ESTER
CAS:208114-93-6
Formula: C27H37FO4
10113
CC(C)OC(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2CC3=CC=CC=C3C2)[C@@H](F)C[C@@H]1O)=O
AL 8810 METHYL ESTER
CAS:1176541-11-9
Formula: C25H33FO4
1.00084e+007
COC(=O)CCC/C=C\CC1C(O)C[C@H](F)[C@@H]1\C=C\[C@H](O)C1Cc2ccccc2C1
Ala-D-?-Glu-Lys-D-Ala-D-Ala (trifluoroacetate salt)
CAS:62182-55-2
Formula: C20H36N6O8 • 2CF3COOH
36453
OC(C(F)(F)F)=O.OC([C@@H](C)NC([C@@H](C)NC([C@H](CCCCN)NC(CC[C@H](C(O)=O)NC([C@@H](N)C)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
ALACHLOR
CAS:15972-60-8
Formula: C14H20ClNO2
30854
CCC1=C(N(COC)C(CCl)=O)C(CC)=CC=C1CCC1=C(N(COC)C(CCl)=O)C(CC)=CC=C1
ALAMETHICIN F50
CAS:56165-93-6
Formula: C92H151N23O24
23141
CC(C[C@H](NC(CNC(C(C)(NC([C@@H](NC(C(C)(NC([C@@H](NC([C@@H](NC(C(C)(NC([C@@H](NC(C(C)(NC([C@H]1N(C(C(C)(C)NC(C)=O)=O)CCC1)=O)C)=O)C)=O)C)=O)C)=O)CCC(N)=O)=O)C)=O)C(C)C)=O)C)=O)=O)C(NC(C)(C(N2[C@H](C(N[C@@H](C(C)C)C(NC(C)(C)C(NC(C)(C)C(N[C@H](CCC(N)=O)C(N[
ALANTOLACTONE
CAS:546-43-0
Formula: C15H20O2
29762
O=C1C([C@@]2([H])C=C3[C@@H](C)CCC[C@]3(C)C[C@@]2([H])O1)=C
ALAPROCLATE (HYDROCHLORIDE)
CAS:60719-83-7
Formula: C13H18ClNO2 • HCl
27770
CC(C(OC(C)(CC1=CC=C(C=C1)Cl)C)=O)N.Cl
ALARELIN (ACETATE)
CAS:79561-22-1
Formula: C56H78N16O12 • 2C2H4O2
30993
O=C(N[C@@H](CO)C(N[C@H](C(N[C@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N(CCC1)[C@@H]1C(NCC)=O)=O)=O)=O)=O)CC(C=C2)=CC=C2O)=O)[C@@H](NC([C@@H](NC([C@H](CC3)NC3=O)=O)CC4=CN=CN4)=O)CC5=CNC6=CC=CC=C56.CC(O)=O.CC(O)=O
ALBENDAZOLE
CAS:54965-21-8
Formula: C12H15N3O2S
23705
CCCSC1=CC(NC(NC(OC)=O)=N2)=C2C=C1
ALBENDAZOLE SULFONE
CAS:75184-71-3
Formula: C12H15N3O4S
35445
O=S(C(C=C1N2)=CC=C1N=C2NC(OC)=O)(CCC)=O
ALBENDAZOLE SULFONE-D3
CAS:1448345-60-5
Formula: C12H12D3N3O4S
35129
CCCS(=O)(C1=CC=C(N=C(N2)NC(OC([2H])([2H])[2H])=O)C2=C1)=O
ALBENDAZOLE-D7
CAS:1287076-43-0
Formula: C12H8D7N3O2S
33542
COC(NC1=NC2=CC(SC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=CC=C2N1)=O
ALBIFLORIN
CAS:39011-90-0
Formula: C23H28O11
29744
O=C1[C@@]2(COC(C3=CC=CC=C3)=O)[C@@](C[C@H]2[C@H](O)C4)(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]4(C)O1
ALBOFUNGIN
CAS:37895-35-5
Formula: C27H24N2O9
23142
NN1C(C)=CC(C=C(C[C@]2([H])C(C3=C(O)C4=C5OC([C@H](OC)CC[C@@H]6O)=C6C4=O)=C5OCO2)C3=C7O)=C7C1=O
ALBORIXIN
CAS:57760-36-8
Formula: C48H84O14
40933
O[C@@H]([C@H](C)[C@]1([H])O[C@@](C[C@H]2O[C@]([C@H](O)[C@]3([H])CC[C@]([C@@]4(O)[C@H](C)C[C@]([C@]5([H])O[C@@H](CC)[C@@](O)(C)CC5)(C)O4)(C)O3)(O)[C@H](C)C[C@@H]2C)(O)[C@@H](C)CC1)C[C@H]6[C@H](C)C[C@H](C)[C@]([C@@H](C)C(O)=O)([H])O6
ALBUTEROL METHYL ETHER
CAS:870076-72-5
Formula: C14H23NO3
17577
OC1=C(CO)C=C(C(OC)CNC(C)(C)C)C=C1
ALC-0159
CAS:1849616-42-7
Formula: (C2H4O)nC31H63NO2
34336
COCCOCC(N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O
ALCAFTADINE
CAS:147084-10-4
Formula: C19H21N3O
21290
O=CC1=CN=C2N1CCC(C=CC=C3)=C3/C2=C4CCN(C)CC\4
ALCLOFENAC
CAS:22131-79-9
Formula: C11H11ClO3
29877
OC(CC1=CC(Cl)=C(OCC=C)C=C1)=O
ALDEHYDE REACTIVE PROBE (TRIFLUOROACETATE SALT)
CAS:627090-10-2
Formula: C12H21N5O4S • CF3COOH
1.00094e+007
O=C1N([H])[C@@]2([H])[C@@](CS[C@H]2CCCCC(N([H])N([H])C(CON)=O)=O)([H])N1[H].FC(F)(C(O)=O)F
ALDICARB-D3
CAS:1795142-83-4
Formula: C7H11D3N2O2S
39580
[2H]C([2H])([2H])NC(ON=CC(C)(C)SC)=O
ALDOSTERONE
CAS:52-39-1
Formula: C21H28O5
15273
O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C([H])=O)[C@@]3([H])CC[C@@H]4C(CO)=O)=C1
ALDOSTERONE 21-SULFATE (SODIUM SALT)
Formula: C21H28O8S • Na
9.00345e+006
O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C=O)[C@@]3([H])CC[C@@H]4C(COS(O)(=O)=O)=O)=C1.[Na+]
ALDOXORUBICIN (HYDROCHLORIDE)
CAS:480998-12-7
Formula: C37H42N4O13 • HCl
35311
OC1=C(C(C2=CC=CC(OC)=C2C3=O)=O)C3=C(O)C4=C1C[C@](C(CO)=NNC(CCCCCN5C(C=CC5=O)=O)=O)(O)C[C@@H]4O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)N.Cl
ALENDRONATE (SODIUM HYDRATE)
CAS:121268-17-5
Formula: C4H12NO7P2 • H6NaO3
13642
NCCCC(P(O)([O-])=O)(O)P(O)(O)=O.[Na+]
ALEPH (hydrochloride)
CAS:61638-08-2
Formula: C12H19NO2S • HCl
23818
COC1=C(CC(C)N)C=C(OC)C(SC)=C1.Cl
Alexamorelin (trifluoroacetate salt)
Formula: C50H63N13O7 • XCF3COOH
36586
C[C@H](N)C(N[C@@H](CC1=CN=CN1)C(N[C@@H](C(N[C@@H](C)C(N[C@H](C(N[C@@H](C(N[C@H](C(N)=O)CCCCN)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C34)=O)=O)CC5=C(C)NC6=CC=CC=C56)=O)=O.OC(C(F)(F)F)=O
ALEXIDINE (HYDROCHLORIDE)
CAS:1715-30-6
Formula: C26H56N10 • 2HCl
13876
CCC(CCCC)CNC(NC(NCCCCCCNC(NC(NCC(CC)CCCC)=N)=N)=N)=N.Cl.Cl
ALFLUTINIB (MESYLATE)
CAS:2130958-55-1
Formula: C28H31F3N8O2 • CH3SO3H
31473
O=C(NC1=CC(NC2=NC(C3=CN(C)C4=C3C=CC=C4)=CC=N2)=C(OCC(F)(F)F)N=C1N(CCN(C)C)C)C=C.O=S(O)(C)=O
ALFUZOSIN (HYDROCHLORIDE)
CAS:81403-68-1
Formula: C19H27N5O4 • HCl
13648
COC1=CC2=C(C(N)=NC(N(C)CCCNC(C3CCCO3)=O)=N2)C=C1OC.Cl
ALISKIREN (HEMIFUMARATE)
CAS:173334-58-2
Formula: C30H53N3O6 • 1/2C4H4O4
19640
COC1=C(OCCCOC)C=C(C[C@H](C(C)C)C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C)C(N)=O)=O)C(C)C)C=C1.OC(/C=C/C(O)=O)=O
ALISKIREN-D6 (HEMIFUMARATE)
Formula: C30H47D6N3O6 • 1/2C4H4O4
33291
COC1=C(OCCCOC)C=C(C[C@H](C(C)C)C[C@H](N)[C@@H](O)C[C@H](C(NCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(N)=O)=O)C(C)C)C=C1.OC(/C=C/C(O)=O)=O.COC2=C(OCCCOC)C=C(C[C@H](C(C)C)C[C@H](N)[C@@H](O)C[C@H](C(NCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(N)=O)=O)C(C)C)C=
ALISOL A
CAS:19885-10-0
Formula: C30H50O5
34050
C[C@@]12[C@]([C@H](CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(O)C)CC[C@@]32C)O)([H])[C@@]4([C@@](C(C)(C(CC4)=O)C)([H])CC1)C
ALISOL B
CAS:18649-93-9
Formula: C30H48O4
34808
C[C@@]12[C@]([C@H](CC3=C([C@H](C)C[C@@H]([C@]4([H])C(C)(O4)C)O)CC[C@@]32C)O)([H])[C@@]5([C@@](C(C)(C(CC5)=O)C)([H])CC1)C
ALISOL C MONOACETATE
CAS:26575-93-9
Formula: C32H48O6
35823
C[C@@]12[C@@]3(C(C[C@@H]([C@@]1([H])[C@@]4([C@@](C(C)(C(CC4)=O)C)([H])CC2)C)O)=C(C(C3)=O)[C@H](C)C[C@@H]([C@]5([H])C(C)(O5)C)OC(C)=O)C
ALISOL F
CAS:155521-45-2
Formula: C30H48O5
35627
C[C@@]12[C@@]3([C@]([C@H](CC1=C4[C@](O[C@](C[C@H]4C)([H])[C@@H](O)C(C)(O)C)([H])C2)O)([H])[C@@]5([C@@](C(C)(C(CC5)=O)C)([H])CC3)C)C
ALITAME
CAS:80863-62-3
Formula: C14H25N3O4S
36267
O=C([C@@H](C)NC([C@@H](N)CC(O)=O)=O)NC(C1(C)C)C(C)(S1)C
ALIZAPRIDE (HYDROCHLORIDE)
CAS:59338-87-3
Formula: C16H21N5O2 • HCl
25645
O=C(NCC1CCCN1CC=C)C2=C(OC)C=C(NN=N3)C3=C2.Cl
ALIZAPRIDE-13C-D3 (HYDROCHLORIDE)
CAS:2928067-18-7
Formula: C15[13C]H18D3N5O2 • HCl
33471
O=C(NCC1CCCN1CC=C)C2=C(O[13C]([2H])([2H])[2H])C=C(NN=N3)C3=C2.Cl
ALIZARIN
CAS:72-48-0
Formula: C14H8O4
11676
O=C1C2=C(C(O)=C(O)C=C2)C(C3=C1C=CC=C3)=O
ALIZARIN-3-METHYLIMINODIACETIC ACID
CAS:3952-78-1
Formula: C19H15NO8
22890
O=C1C2=C(C(O)=C(O)C(CN(CC(O)=O)CC(O)=O)=C2)C(C3=C1C=CC=C3)=O
ALK INHIBITOR 2
CAS:761438-38-4
Formula: C23H28ClN7O3S
36823
O=S(NC)(C1=C(NC2=NC(NC3=CC=C(N4CCN(CC4)C)C=C3OC)=NC=C2Cl)C=CC=C1)=O
ALK-IN-1
CAS:1197958-12-5
Formula: C26H34ClN6O2P
18775
CN(C)C1CCN(C2=CC(OC)=C(NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)C=C2)CC1
ALK5 INHIBITOR II (HYDROCHLORIDE)
CAS:2319939-07-4
Formula: C17H13N5 • HCl
15526
CC1=NC(C2=NNC=C2C3=NC4=CC=CN=C4C=C3)=CC=C1.Cl
ALKANNIN
CAS:517-88-4
Formula: C16H16O5
25058
OC1=C2C(C(C=C([C@H](C/C=C(C)/C)O)C2=O)=O)=C(O)C=C1
ALKYNYL-BIOTIN
CAS:1011268-28-2
Formula: C22H36N4O5S
13038
O=C1N[C@]2([H])[C@H](CCCCC(NCCOCCOCCNC(CCCC#C)=O)=O)SC[C@]2([H])N1
ALL-TRANS RETINAL
CAS:116-31-4
Formula: C20H28O
18449
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C([H])=O)C(C)(C)CCC1
ALL-TRANS RETINOIC ACID
CAS:302-79-4
Formula: C20H28O2
11017
CC1(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)=C(C)CCC1
ALL-TRANS RETINOIC ACID-D5
Formula: C20H23D5O2
25415
CC1(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)=C(C([2H])([2H])[2H])C([2H])([2H])CC1
ALL-TRANS-13,14-DIHYDRORETINOL
CAS:115797-14-3
Formula: C20H32O
34873
OCCC(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ALL-TRANS-4-HYDROXY RETINOIC ACID
CAS:66592-72-1
Formula: C20H28O3
21378
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)C(C)(C)CCC1O
ALL-TRANS-5,6-EPOXY RETINOIC ACID
CAS:13100-69-1
Formula: C20H28O3
22124
CC1(O2)C2(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)C(C)(C)CCC1
ALLANTOIN
CAS:97-59-6
Formula: C4H6N4O3
30204
O=C1[C@@H](NC(N)=O)NC(N1)=O
ALLETHRIN
CAS:584-79-2
Formula: C19H26O3
24132
C/C(C)=C/C1C(C)(C)C1C(OC2C(C)=C(CC=C)C(C2)=O)=O
ALLO-1
CAS:37468-32-9
Formula: C17H15ClN2O2
17776
O=C1N(C2=CC=C(Cl)C=C2)C(N(CC3=CC=CC=C3)C1C)=O
ALLOCHOLIC ACID
CAS:2464-18-8
Formula: C24H40O5
30415
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C
ALLOCRYPTOPINE
CAS:485-91-6
Formula: C21H23NO5
34751
O=C1C2=CC3=C(C=C2CCN(CC4=C(C(OC)=CC=C4C1)OC)C)OCO3
ALLOISOLITHOCHOLIC ACID
CAS:2276-93-9
Formula: C24H40O3
29542
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
ALLOLITHOCHOLIC ACID
CAS:2276-94-0
Formula: C24H40O3
38158
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
ALLOPREGNANOLONE
CAS:516-54-1
Formula: C21H34O2
16930
O=C(C)[C@H]1CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
ALLOPURINOL RIBOSIDE
CAS:16220-07-8
Formula: C10H12N4O5
33459
O=C(N=CN1)C2=C1N([C@@]3([H])[C@H](O)[C@H](O)[C@@H](CO)O3)N=C2
ALLOXAN (HYDRATE)
CAS:2244-11-3
Formula: C4H2N2O4 • H2O
9.0022e+006
O=C(C(C(N1)=O)=O)NC1=O.O
ALLYLESCALINE (HYDROCHLORIDE)
CAS:39201-76-8
Formula: C13H19NO3 • HCl
9.00198e+006
COC1=C(OCC=C)C(OC)=CC(CCN)=C1.Cl
ALMOREXANT (HYDROCHLORIDE)
CAS:913358-93-7
Formula: C29H31F3N2O3 • HCl
13638
O=C(NC)[C@@H](C1=CC=CC=C1)N2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2CCC4=CC=C(C(F)(F)F)C=C4
ALMOREXANT-13C-D3
CAS:2738376-75-3
Formula: C28[13C]H28D3F3N2O3
29099
O=C(N[13C]([2H])([2H])[2H])[C@@H](C1=CC=CC=C1)N2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2CCC4=CC=C(C(F)(F)F)C=C4
ALMOTRIPTAN (MALATE)
CAS:181183-52-8
Formula: C17H25N3O2S • C4H6O5
25646
CN(C)CCC1=CNC2=CC=C(CS(N3CCCC3)(=O)=O)C=C21.OC(C(O)=O)CC(O)=O
ALOBRESIB
CAS:1637771-14-2
Formula: C26H23N5O2
30726
OC(C1=CC=CC=N1)(C2=CC(C3=C(C)ON=C3C)=CC4=C2NC(C5CC5)=N4)C6=CC=CC=N6
ALOE-EMODIN
CAS:481-72-1
Formula: C15H10O5
11677
O=C1C2=CC(CO)=CC(O)=C2C(C3=C1C=CC=C3O)=O
ALOENIN
CAS:38412-46-3
Formula: C19H22O10
35859
CC1=CC(O)=CC(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)=C1C3=CC(OC)=CC(O3)=O
ALOESIN
CAS:30861-27-9
Formula: C19H22O9
14649
O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](C2=C(OC(CC(C)=O)=CC3=O)C3=C(C)C=C2O)[C@@H]1O
ALOFANIB
CAS:1612888-66-0
Formula: C19H15N3O6S
31754
O=C(C1=CC=CC(S(=O)(NC2=C([N+]([O-])=O)C=C(C)C(C3=CN=CC=C3)=C2)=O)=C1)O
ALOGLIPTIN (BENZOATE SALT)
CAS:850649-62-6
Formula: C18H21N5O2 • C7H6O2
23768
O=C(N(C)C1=O)C=C(N2C[C@H](N)CCC2)N1CC3=CC=CC=C3C#N.O=C(O)C4=CC=CC=C4
ALOIN
CAS:452311-56-7
Formula: C21H22O9
22435
O=C1C2=C(O)C=C(CO)C=C2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=C1C(O)=CC=C4
ALOIN B
CAS:28371-16-6
Formula: C21H22O9
23321
O=C1C2=C(O)C=C(CO)C=C2[C@@]([C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)([H])C4=C1C(O)=CC=C4
ALOISINE RP106
CAS:496864-15-4
Formula: C17H19N3O
21873
COC(C=C1)=CC=C1C2=C(CCCC)C3=NC=CN=C3N2
ALOPERINE
CAS:56293-29-9
Formula: C15H24N2
22259
[H][C@]12CCCCN1C[C@@]3([H])C[C@]2([H])C=C4[C@@]3([H])NCCC4
ALPHITONIN
CAS:493-36-7
Formula: C15H12O7
29716
OC1=CC(O)=C(C(C(CC2=CC=C(O)C(O)=C2)(O)O3)=O)C3=C1
ALPIDEM
CAS:82626-01-5
Formula: C21H23Cl2N3O
34252
O=C(CC1=C(C2=CC=C(C=C2)Cl)N=C3C=CC(Cl)=CN31)N(CCC)CCC
ALPRENOLOL
CAS:13655-52-2
Formula: C15H23NO2
25338
C=CCC1=C(OCC(CNC(C)C)O)C=CC=C1
ALRESTATIN
CAS:51411-04-2
Formula: C14H9NO4
29888
O=C(C1=C2C(C=CC=C23)=CC=C1)N(CC(O)=O)C3=O
ALSTERPAULLONE
CAS:237430-03-4
Formula: C16H11N3O3
14428
O=C1CC2=C(NC3=C2C=C([N+]([O-])=O)C=C3)C4=CC=CC=C4N1
ALTEMICIDIN
CAS:125399-82-8
Formula: C13H20N4O7S
32897
NS(CC(N[C@@]1([C@@]2([H])[C@@](C(C(N)=O)=CN(C2)C)([H])C[C@@H]1O)C(O)=O)=O)(=O)=O
ALTENUSIN
CAS:31186-12-6
Formula: C15H14O6
26911
COC1=CC(C2=C(C)C=C(O)C(O)=C2)=C(C(O)=O)C(O)=C1
ALTERNAPYRONE
CAS:676340-02-6
Formula: C28H44O3
33251
CCC(C)/C=C(C)/CCCC(C)/C=C(C)/C=C(C)/CC(C1=C(C(O)=C(C(O1)=O)C)C)C
ALTHIOMYCIN
CAS:12656-40-5
Formula: C16H17N5O6S2
32887
O=C(C1=CSC(/C=N/O)=N1)NC(CO)C2=N[C@@H](C(N3C(C=C(OC)C3)=O)=O)CS2
ALTIRATINIB
CAS:1345847-93-9
Formula: C26H21F3N4O4
18777
FC1=CC=C(NC(C2(CC2)C(NC3=C(F)C=C(OC4=CC(NC(C5CC5)=O)=NC=C4)C=C3F)=O)=O)C=C1
ALTRETAMINE
CAS:645-05-6
Formula: C9H18N6
23662
CN(C)C1=NC(N(C)C)=NC(N(C)C)=N1
ALVERINE (CITRATE)
CAS:5560-59-8
Formula: C20H27N • C6H8O7
26892
CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.OC(CC(C(O)=O)(O)CC(O)=O)=O
ALVIMOPAN
CAS:156053-89-3
Formula: C25H32N2O4
23902
OC1=CC=CC([C@]2(C)CCN(C[C@@H](C(NCC(O)=O)=O)CC3=CC=CC=C3)C[C@@H]2C)=C1
ALVIMOPAN-D5
Formula: C25H27D5N2O4
33812
C[C@]1(C2=CC(O)=CC=C2)[C@H](CN(CC1)CC(C(NCC(O)=O)=O)CC3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])C
ALW-II-41-27
CAS:1186206-79-0
Formula: C32H32F3N5O2S
25275
CCN1CCN(CC2=CC=C(NC(C3=CC=C(C)C(NC(C4=CC(C5=CC=CS5)=CN=C4)=O)=C3)=O)C=C2C(F)(F)F)CC1
ALX 5407 (HYDROCHLORIDE)
CAS:200006-08-2
Formula: C24H24FNO3 • HCl
30626
FC(C=C1)=CC=C1[C@@H](CCN(C)CC(O)=O)OC(C=C2)=CC=C2C3=CC=CC=C3.Cl
ALYTESIN (TRIFLUOROACETATE SALT)
Formula: C68H106N22O17S • XCF3COOH
34428
O=C([C@@H]1CCC(N1)=O)NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(NCC(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](C)C(N[C@@H](C(C)C)C(NCC(N[C@H](C(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)CC3=CNC4=CC=CC=C34)=O)=O)=O)=O)=O)
AM0902
CAS:1883711-97-4
Formula: C17H15ClN6O2
37290
O=C1C2=C(N=CN2C)N=CN1CC3=NC(CCC4=CC=C(Cl)C=C4)=NO3
AM095
CAS:1228690-36-5
Formula: C27H24N2O5
22141
O=C(O)CC(C=C1)=CC=C1C(C=C2)=CC=C2C3=C(NC(O[C@H](C)C4=CC=CC=C4)=O)C(C)=NO3
AM1220
CAS:137642-54-7
Formula: C26H26N2O
9.00106e+006
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CC4N(C)CCCC4)C5=CC=CC=C53
AM1241
CAS:444912-48-5
Formula: C22H22IN3O3
1.00101e+007
O=C(C1=CC([N+]([O-])=O)=CC=C1I)C2=CN(CC3N(C)CCCC3)C4=CC=CC=C42
AM1248
CAS:335160-66-2
Formula: C26H34N2O
11282
O=C(C1(C2)C[C@@H]3C[C@H](C1)C[C@H]2C3)C4=CN(CC5N(C)CCCC5)C6=C4C=CC=C6
AM1248 AZEPANE ISOMER
CAS:2365471-12-9
Formula: C26H34N2O
14068
O=C(C12C[C@H]3C[C@H](C[C@@H](C2)C3)C1)C4=CN(C5CCCCN(C)C5)C6=C4C=CC=C6
AM2201 2'-NAPHTHYL ISOMER
CAS:2365471-27-6
Formula: C24H22FNO
10862
O=C(C1=CC=C(C=CC=C2)C2=C1)C3=CN(CCCCCF)C4=CC=CC=C43
AM2201 6-HYDROXYINDOLE METABOLITE
CAS:1427521-35-4
Formula: C24H22FNO2
11192
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCF)C4=CC(O)=CC=C43
AM2201 8-QUINOLINYL CARBOXAMIDE
CAS:2365471-42-5
Formula: C23H22FN3O
14892
O=C(NC1=C(N=CC=C2)C2=CC=C1)C3=CN(CCCCCF)C4=C3C=CC=C4
AM2233
CAS:444912-75-8
Formula: C22H23IN2O
11008
O=C(C1=C(I)C=CC=C1)C2=CN(CC3N(C)CCCC3)C4=CC=CC=C42
AM2233 AZEPANE ISOMER
CAS:1432478-91-5
Formula: C22H23IN2O
11584
O=C(C1=C(I)C=CC=C1)C2=CN(C3CCCCN(C)C3)C4=C2C=CC=C4
AM2394
CAS:1442684-77-6
Formula: C22H25N5O4
20992
CC1=CC(OC2=CC(NC(NC)=O)=NC=C2C3=CC=C(OCC(C)(O)C)N=C3)=CN=C1
AM251
CAS:183232-66-8
Formula: C22H21Cl2IN4O
71670
Ic1ccc(cc1)c1c(C)c(nn1c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
AM3102
CAS:213182-22-0
Formula: C21H41NO2
13452
OC[C@@H](C)NC(CCCCCCC/C=C\CCCCCCCC)=O
AM4113
CAS:614726-85-1
Formula: C17H12Cl3N3O
20581
ClC1=CC(Cl)=CC=C1N2C(C3=CC=C(Cl)C=C3)=C(C)C(C(N)=O)=N2
AM580
CAS:102121-60-8
Formula: C22H25NO3
15261
OC(C1=CC=C(NC(C2=CC(C(C)(C)CCC3(C)C)=C3C=C2)=O)C=C1)=O
AM630
CAS:164178-33-0
Formula: C23H25IN2O3
1.0007e+007
COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
AM6545
CAS:1245626-05-4
Formula: C26H23Cl2N5O3S
16316
ClC1=CC(Cl)=C(N2N=C(C(NN3CCS(CC3)(=O)=O)=O)C(C)=C2C4=CC=C(C#CCCC#N)C=C4)C=C1
AM679
CAS:335160-91-3
Formula: C20H20INO
11504
CCCCCN1C2=CC=CC=C2C(C(C3=CC=CC=C3I)=O)=C1
AM694 3-IODO ISOMER
CAS:1427325-91-4
Formula: C20H19FINO
10870
O=C(C1=CC=CC(I)=C1)C2=CN(CCCCCF)C3=CC=CC=C32
AM694 N-(5-HYDROXYPENTYL) METABOLITE
CAS:335160-94-6
Formula: C20H20INO2
14358
O=C(C1=C(I)C=CC=C1)C2=CN(CCCCCO)C3=C2C=CC=C3
AM694 N-PENTANOIC ACID METABOLITE
CAS:1432900-96-3
Formula: C20H18INO3
14359
O=C(C1=C(I)C=CC=C1)C2=CN(CCCCC(O)=O)C3=C2C=CC=C3
AM694 N-PENTANOIC ACID METABOLITE-D5
CAS:2705382-32-5
Formula: C20H13D5INO3
14373
O=C(C1=C(I)C=CC=C1)C2=C([2H])N(CCCCC(O)=O)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
AM80
CAS:94497-51-5
Formula: C22H25NO3
71770
CC(CCC1(C)C)(C)C2=C1C=C(NC(C3=CC=C(C(O)=O)C=C3)=O)C=C2
AM92016 (hydrochloride)
CAS:133229-11-5
Formula: C19H24Cl2N2O4S • HCl
36803
O=S(NC1=CC=C(C=C1)OCC(CN(CCC2=CC=C(C(Cl)=C2)Cl)C)O)(C)=O.Cl
AM966
CAS:1228690-19-4
Formula: C27H23ClN2O5
22048
O=C(O)CC(C=C1)=CC=C1C(C=C2)=CC=C2C3=C(NC(O[C@H](C)C4=C(Cl)C=CC=C4)=O)C(C)=NO3
AMANTADINE (HYDROCHLORIDE)
CAS:665-66-7
Formula: C10H17N • HCl
21364
NC1(C[C@H](C2)C3)C[C@@H]2C[C@@H]3C1.Cl
AMARA Peptide (trifluoroacetate salt)
Formula: C62H115N27O17S • XCF3COOH
36894
C[C@H](N)C(N[C@@H](CCSC)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O)=O)
AMAROGENTIN
CAS:21018-84-8
Formula: C29H30O13
24914
O=C1OCC[C@]2([H])C1=CO[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C4=C(C5=CC=CC(O)=C5)C=C(O)C=C4O)=O)[C@@H]2C=C
AMASTATIN (HYDROCHLORIDE)
CAS:100938-10-1
Formula: C21H38N4O8 • HCl
16719
CC(C)[C@H](NC([C@@H](NC([C@@H](O)[C@H](N)CC(C)C)=O)C(C)C)=O)C(N[C@@H](CC(O)=O)C(O)=O)=O.Cl
AMAUROMINE
CAS:88360-87-6
Formula: C32H36N4O2
23886
C=CC(C)(C)[C@]1([C@@]2([H])NC3=C1C=CC=C3)C[C@]4([H])N2C([C@@](C[C@]5(C(C)(C)C=C)[C@@]6([H])NC7=C5C=CC=C7)([H])N6C4=O)=O
AMB
CAS:1890250-13-1
Formula: C19H27N3O3
15488
O=C(N[C@H](C(OC)=O)C(C)C)C1=NN(CCCCC)C2=C1C=CC=C2
AMB BUTANOIC ACID METABOLITE
CAS:1890250-16-4
Formula: C18H25N3O3
30302
O=C(N[C@H](C(O)=O)C(C)C)C1=NN(CCCCC)C2=C1C=CC=C2
AMBRISENTAN
CAS:177036-94-1
Formula: C22H22N2O4
23669
CC1=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C3=CC=CC=C3)=NC(C)=C1
AMBRISENTAN-D3
CAS:1189479-60-4
Formula: C22H19D3N2O4
35558
CC1=NC(OC(C(O)=O)C(OC([2H])([2H])[2H])(C2=CC=CC=C2)C3=CC=CC=C3)=NC(C)=C1
AMBROXOL (HYDROCHLORIDE)
CAS:23828-92-4
Formula: C13H18Br2N2O • HCl
19377
BrC1=CC(Br)=CC(CN[C@@H]2CC[C@@H](O)CC2)=C1N.Cl
Ambroxol-d5 (hydrochloride)
CAS:2741380-71-0
Formula: C13H13Br2D5N2O • HCl
38335
NC(C(Br)=C1)=C(C=C1Br)CN[C@H](CC2([2H])[2H])CC([2H])([2H])[C@]2([2H])O.Cl
AMBUIC ACID
CAS:340774-69-8
Formula: C19H26O6
27483
OCC1=C(/C=C/CCCCC)C([C@@]2(C/C=C(C)/C(O)=O)[C@H](O2)[C@@H]1O)=O
AMC ARACHIDONOYL AMIDE
CAS:862913-13-1
Formula: C30H39NO3
1.00051e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1
AMCA
CAS:106562-32-7
Formula: C12H11NO4
29184
NC1=CC=C2C(OC(C(CC(O)=O)=C2C)=O)=C1
AMCA N-SUCCINIMIDYL ESTER
CAS:113721-87-2
Formula: C16H14N2O6
34668
O=C1OC2=C(C(C)=C1CC(ON3C(CCC3=O)=O)=O)C=CC(N)=C2
AMCASERTIB
CAS:1129403-56-0
Formula: C31H33N5O2S
22980
CC1=C(C(NCCN(CC)CC)=O)C(C)=C(/C=C2C(C=C(C3=CSC(C4=CC=CC=C4)=N3)C=C5)=C5NC\2=O)N1
AMCINONIDE
CAS:51022-69-6
Formula: C28H35FO7
23903
O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2(F)[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@]5([H])[C@@]4(C(COC(C)=O)=O)OC6(CCCC6)O5)=C1
AMD 3465 (HYDROBROMIDE)
CAS:185991-07-5
Formula: C24H38N6 • 6HBr
11959
N1(CC2=CC=C(CNCC3=NC=CC=C3)C=C2)CCNCCCNCCNCCC1
AMENAMEVIR
CAS:841301-32-4
Formula: C24H26N4O5S
27921
O=S1(CCC(C(N(C2=C(C)C=CC=C2C)CC(NC3=CC=C(C4=NOC=N4)C=C3)=O)=O)CC1)=O
AMENTOFLAVONE
CAS:1617-53-4
Formula: C30H18O10
21779
O=C1C=C(C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3C4=CC(C5=CC(C(C(O)=CC(O)=C6)=C6O5)=O)=CC=C4O
AMETANTRONE
CAS:64862-96-0
Formula: C22H28N4O4
22924
O=C1C2=C(C(NCCNCCO)=CC=C2NCCNCCO)C(C3=CC=CC=C31)=O
AMFENAC (SODIUM SALT HYDRATE)
CAS:61618-27-7
Formula: C15H12NO3 • Na [H2O]
30627
NC1=C(C(C2=CC=CC=C2)=O)C=CC=C1CC([O-])=O.[Na+].O
AMG 208
CAS:1002304-34-8
Formula: C22H17N5O2
24197
COC1=CC2=NC=CC(OCC3=NN=C(C=C4)N3N=C4C5=CC=CC=C5)=C2C=C1
AMG 232
CAS:1352066-68-2
Formula: C28H35Cl2NO5S
25667
O=C1N([C@@H](C(C)C)CS(C(C)C)(=O)=O)[C@H](C2=CC=C(Cl)C=C2)[C@@H](C3=CC(Cl)=CC=C3)C[C@]1(C)CC(O)=O
AMG 319
CAS:1608125-21-8
Formula: C21H16FN7
17383
C[C@@H](C1=CC(C=CC(F)=C2)=C2N=C1C3=CC=CC=N3)NC4=C5C(N=CN5)=NC=N4
AMG 333
CAS:1416799-28-4
Formula: C20H12F5N3O4
36825
O=C(C1=CC=C(C=N1)C(O)=O)N[C@H](C2=C(C=CC=N2)F)C3=CC(F)=C(C=C3)OC(F)(F)F
AMG 337
CAS:1173699-31-4
Formula: C23H22FN7O3
21333
COCCOC1=CN=C(C=CN([C@H](C)C2=NN=C3N2C=C(C4=CN(C)N=C4)C=C3F)C5=O)C5=C1
AMG 458
CAS:913376-83-7
Formula: C30H29N5O5
36213
O=C(C1=C(C)N(CC(C)(O)C)N(C2=CC=CC=C2)C1=O)NC3=CC=C(C=N3)OC4=CC=NC5=C4C=CC(OC)=C5
AMG 47A
CAS:882663-88-9
Formula: C29H28F3N5O2
25339
CC1=CC=C(C(NC2=CC=CC(C(F)(F)F)=C2)=O)C=C1C3=CC(C=N4)=C(C=C3)N=C4NCCN5CCOCC5
AMG 487
CAS:473719-41-4
Formula: C32H28F3N5O4
28416
O=C(N([C@@H](C1=NC(N=CC=C2)=C2C(N1C3=CC=C(OCC)C=C3)=O)C)CC4=CN=CC=C4)CC5=CC=C(OC(F)(F)F)C=C5
AMG 510
CAS:2296729-00-3
Formula: C30H30F2N6O3
29465
O=C1N=C(N2CCN(C(C=C)=O)CC2C)C3=CC(F)=C(C4=C(O)C=CC=C4F)N=C3N1C5=C(C(C)C)N=CC=C5C
AMG 517
CAS:659730-32-2
Formula: C20H13F3N4O2S
26191
O=C(C)NC1=NC2=C(S1)C=CC=C2OC3=NC=NC(C4=CC=C(C(F)(F)F)C=C4)=C3
AMG 706
CAS:857876-30-3
Formula: C22H23N5O • 2H3PO4
17671
O=C(NC1=CC=C(C(C)(C)CN2)C2=C1)C3=C(NCC4=CC=NC=C4)N=CC=C3.OP(O)(O)=O.OP(O)(O)=O
AMG 837
CAS:865231-46-5
Formula: C26H21F3O3
21815
OC(C[C@H](C#CC)C(C=C1)=CC=C1OCC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2)=O
AMG 900
CAS:945595-80-2
Formula: C28H21N7OS
19176
NC1=NC=CC(C2=C(OC3=CC=C(NC4=C(C=CC=C5)C5=C(C6=CC(C)=CS6)N=N4)C=C3)N=CC=C2)=N1
AMG 925
CAS:1401033-86-0
Formula: C26H29N7O2
29245
O=C(CO)N(CC1)CC(C1=N2)=CC=C2NC3=NC=C(C4=N3)C5=CC=NC=C5N4[C@@]6([H])CC[C@H](C)CC6
AMG 9810
CAS:545395-94-6
Formula: C21H23NO3
14715
CC(C)(C)C1=CC=C(/C=C/C(NC2=CC=C(OCCO3)C3=C2)=O)C=C1
AMG PERK 44 (hydrochloride)
Formula: C34H28N4O2• XHCl
19126
CC1=NC2=CC=C(C3=C(N)C(C(C4=C(C5=CC=CC=C5)N(C)N(C6=CC=CC=C6)C4=O)=O)=CC=C3C)C=C2C=C1.Cl
AMG-TIE2-1
CAS:870223-96-4
Formula: C25H20F3N5O2
28850
FC(F)(F)C1=CC=CC(NC(C2=CC=C(C)C(OC3=NC=CC=C3C4=NC(NC)=NC=C4)=C2)=O)=C1
AMI-1 (SODIUM SALT)
Formula: C21H12N2O9S2 • 4Na
13965
O=C(NC1=CC(C=C(S(=O)([O-])=O)C=C2[O-])=C2C=C1)NC3=CC4=C(C([O-])=CC(S(=O)([O-])=O)=C4)C=C3.[Na+].[Na+].[Na+].[Na+]
AMICOUMACIN B
CAS:77674-99-8
Formula: C20H28N2O8
31777
O=C(CC(C(C(C(NC(C1OC(C2=C(C1)C=CC=C2O)=O)CC(C)C)=O)O)O)N)O
AMIDEPSINE A
CAS:169181-28-6
Formula: C29H29NO11
17774
OC1=C(C(NC(C)C(O)=O)=O)C(C)=CC(OC(C2=C(O)C=C(OC(C3=C(C)C=C(OC)C=C3OC)=O)C=C2C)=O)=C1
AMIDEPSINE D
CAS:79786-34-8
Formula: C26H24O10
17775
OC1=C(C(O)=O)C(C)=CC(OC(C2=C(O)C=C(OC(C3=C(C)C=C(OC)C=C3OC)=O)C=C2C)=O)=C1
AMIFOSTINE (HYDRATE)
CAS:112901-68-5
Formula: C5H15N2O3PS • 3H2O
14398
NCCCNCCSP(O)(O)=O.O.O.O
AMIFOSTINE THIOL (HYDROCHLORIDE)
CAS:14653-77-1
Formula: C5H14N2S • 2HCl
18612
NCCCNCCS.Cl.Cl
AMIKACIN
CAS:37517-28-5
Formula: C22H43N5O13
15405
NC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@]1([H])O[C@@H]2[C@@H](N)C[C@@H](NC([C@@H](O)CCN)=O)[C@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O
AMINO TADALAFIL
CAS:385769-84-6
Formula: C21H18N4O4
20876
O=C1N(N)CC(N2[C@H](C3=CC=C(OCO4)C4=C3)C5=C(C6=CC=CC=C6N5)C[C@@]21[H])=O
AMINOACETONE (HYDROCHLORIDE)
CAS:7737-17-9
Formula: C3H7NO • HCl
17573
CC(CN)=O.Cl
AMINOETHOXYVINYL GLYCINE (HYDROCHLORIDE)
CAS:55720-26-8
Formula: C6H12N2O3 • HCl
15546
OC([C@@H](N)/C=C/OCCN)=O.Cl
AMINOETHYL-SS-PROPIONIC ACID
CAS:15579-00-7
Formula: C5H11NO2S2
35501
O=C(CCSSCCN)O
AMINOGLUTETHIMIDE
CAS:125-84-8
Formula: C13H16N2O2
20947
O=C1NC(C(C2=CC=C(N)C=C2)(CC)CC1)=O
AMINOGUANIDINE (HYDROCHLORIDE)
CAS:1937-19-5
Formula: CH6N4 • HCl
81530
N/C(NN)=N\[H].Cl
AMINOOXYACETIC ACID (HYDROCHLORIDE)
CAS:2921-14-4
Formula: C2H5NO3 • 1/2HCl
28298
OC(CON)=O.OC(CON)=O.Cl
AMINOPURVALANOL A
CAS:220792-57-4
Formula: C19H26ClN7O
21424
CC(C)N1C2=NC(N[C@H](C(C)C)CO)=NC(NC3=CC(Cl)=CC(N)=C3)=C2N=C1
AMIODARONE (HYDROCHLORIDE)
CAS:19774-82-4
Formula: C25H29I2NO3 • HCl
15213
IC1=C(OCCN(CC)CC)C(I)=CC(C(C2=C(CCCC)OC3=C2C=CC=C3)=O)=C1.Cl
AMIODARONE-D4 (HYDROCHLORIDE)
CAS:1216715-80-8
Formula: C25H25D4I2NO3 • HCl
1.00107e+007
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1Cl
AMIPROFOS-METHYL
CAS:36001-88-4
Formula: C11H17N2O4PS
23379
CC1=CC([N+]([O-])=O)=C(OP(NC(C)C)(OC)=S)C=C1
AMISELIMOD (HYDROCHLORIDE)
CAS:942398-84-7
Formula: C19H30F3NO3 • HCl
20970
CCCCCCCOC1=C(C(F)(F)F)C=C(CCC(CO)(N)CO)C=C1.Cl
AMISULPRIDE
CAS:71675-85-9
Formula: C17H27N3O4S
14619
O=S(C1=CC(C(NCC2N(CC)CCC2)=O)=C(OC)C=C1N)(CC)=O
AMISULPRIDE N-OXIDE
CAS:71676-01-2
Formula: C17H27N3O5S
35447
O=C(C1=C(OC)C=C(N)C(S(=O)(CC)=O)=C1)NCC2CCC[N]2(CC)=O
AMISULPRIDE-D5
CAS:1216626-17-3
Formula: C17H22D5N3O4S
30075
O=S(C1=CC(C(NCC2N(C([2H])([2H])C([2H])([2H])[2H])CCC2)=O)=C(OC)C=C1N)(CC)=O
AMITRAZ
CAS:33089-61-1
Formula: C19H23N3
28852
CC1=CC=C(/N=C/N(C)/C=N/C2=CC=C(C)C=C2C)C(C)=C1
AMK (HYDROCHLORIDE)
CAS:1215711-91-3
Formula: C12H16N2O3 • HCl
34688
O=C(C)NCCC(C1=CC(OC)=CC=C1N)=O.Cl
AMLEXANOX
CAS:68302-57-8
Formula: C16H14N2O4
14181
CC(C)C1=CC=C2C(C(C(C=C(C(O)=O)C(N)=N3)=C3O2)=O)=C1
AMLODIPINE-D4 (MALEATE)
CAS:1185246-15-4
Formula: C20H21ClD4N2O5 • C4H4O4
25035
CC1=C(C(OC)=O)C(C2=C(Cl)C=CC=C2)C(C(OCC)=O)=C(COC([2H])([2H])C([2H])([2H])N)N1.OC(/C=C\C(O)=O)=O
AMN082
CAS:97075-46-2
Formula: C28H28N2 • 2HCl
28779
C(C1=CC=CC=C1)(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
AMODIAQUINE
CAS:86-42-0
Formula: C20H22ClN3O
15954
OC(C=C1)=C(CN(CC)CC)C=C1NC2=CC=NC3=C2C=CC(Cl)=C3
AMODIAQUINE-D10
CAS:1189449-70-4
Formula: C20H12ClD10N3O
28525
OC(C=C1)=C(CN(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C=C1NC2=CC=NC3=C2C=CC(Cl)=C3
AMONAFIDE
CAS:69408-81-7
Formula: C16H17N3O2
31623
O=C1C2=C3C(C(N1CCN(C)C)=O)=CC(N)=CC3=CC=C2
AMORFRUTIN A
CAS:80489-90-3
Formula: C21H24O4
21106
OC(C(C(O)=C(C/C=C(C)/C)C(OC)=C1)=C1CCC2=CC=CC=C2)=O
AMORFRUTIN B
CAS:78916-42-4
Formula: C26H32O4
19618
OC(C(C(O)=C(C/C=C(C)/CC/C=C(C)/C)C(OC)=C1)=C1CCC2=CC=CC=C2)=O
AMOROLFINE (HYDROCHLORIDE)
CAS:78613-38-4
Formula: C21H35NO • HCl
26077
CC(CC1=CC=C(C(C)(C)CC)C=C1)CN2C[C@@H](C)O[C@@H](C)C2.Cl
AMOXAPINE
CAS:14028-44-5
Formula: C17H16ClN3O
17347
ClC1=CC2=C(C=C1)OC3=C(C=CC=C3)N=C2N4CCNCC4
AMOXICILLIN (HYDRATE)
CAS:61336-70-7
Formula: C16H19N3O5S • 3H2O
19188
OC1=CC=C([C@@H](N)C(N[C@@H]2C(N3[C@]2([H])SC(C)(C)[C@@H]3C(O)=O)=O)=O)C=C1.O.O.O
AMOXICILLIN-D4
CAS:2673270-36-3
Formula: C16H15D4N3O5S
25428
OC1=C([2H])C([2H])=C([C@@H](N)C(N[C@@H]2C(N3[C@]2([H])SC(C)(C)[C@@H]3C(O)=O)=O)=O)C([2H])=C1[2H]
AMOZ
CAS:43056-63-9
Formula: C8H15N3O3
36480
O=C(O1)N(N)CC1CN2CCOCC2
AMP-4EN-PINACA
Formula: C17H22N4O2
33818
O=C(N[C@@H](CC)C(N)=O)C1=NN(CCCC=C)C2=C1C=CC=C2
AMPHETAMINE METHYL CARBAMATE
CAS:27822-58-8
Formula: C11H15NO2
9.00284e+006
CC(NC(OC)=O)CC1=CC=CC=C1
AMPHOMYCIN
CAS:1402-82-0
Formula: C58H91N13O20
17091
O=C([C@@H]1N(CCCC1)C([C@@](NC([C@@H](NC(C/C=C\CCCCCC(CC)C)=O)CC(O)=O)=O)([C@H](NC([C@@H]2CCCN2C([C@@H](NC([C@@]([H])([C@H](N)C)N3)=O)C(C)C)=O)=O)C)[H])=O)N[C@@]([C@@H](C(O)=O)C)(C(N[C@H](C(NCC(N[C@@H](CC(O)=O)C(NCC3=O)=O)=O)=O)CC(O)=O)=O)[H]
AMPHOTERICIN B
CAS:1397-89-3
Formula: C47H73NO17
11636
O=C1O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@]2([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@](O3)([H])[C@H](C(O)=O)[C@@H](O)C[C@@]3(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C1
AMPHOTERICIN B METHYL ESTER
CAS:36148-89-7
Formula: C48H75NO17
36342
COC([C@H]1[C@@]2([H])O[C@@](C[C@@H]1O)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O)C)O)C)C)=O)O)O)O)O)O)O)=O
AMPICILLIN (HYDRATE)
CAS:7177-48-2
Formula: C16H19N3O4S • 3H2O
35740
O=C(N[C@@H]1C(N2[C@]1([H])SC(C)(C)[C@@H]2C(O)=O)=O)[C@H](N)C3=CC=CC=C3.O.O.O
AMPICILLIN (SODIUM SALT)
CAS:69-52-3
Formula: C16H18N3O4S • Na
14417
O=C(N[C@@H]1C(N2[C@]1([H])SC(C)(C)[C@@H]2C([O-])=O)=O)[C@H](N)C3=CC=CC=C3.[Na+]
AMPICILLIN-D5
CAS:1426173-65-0
Formula: C16H14D5N3O4S
25356
O=C(N[C@@H]1C(N2[C@]1([H])SC(C)(C)[C@@H]2C(O)=O)=O)[C@H](N)C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H]
AMPIROXICAM
CAS:99464-64-9
Formula: C20H21N3O7S
23026
O=S1(C2=CC=CC=C2C(OC(C)OC(OCC)=O)=C(C(NC3=CC=CC=N3)=O)N1C)=O
AMPK ACTIVATOR
CAS:849727-81-7
Formula: C22H21FO4
14741
FC1=CC=C(CCOC2=CC=C(CCCC3=CC=C(C(O)=O)O3)C=C2)C=C1
AMPKINONE
CAS:1233082-79-5
Formula: C31H23NO6
10631
O=C1N(C2=CC=C(C(C3=CC=CC=C3)=O)C=C2)C(C4=C1C=CC5=C4C(C)(C)OC6=C(O)C(OC)=CC=C65)=O
AMPR-22 (trifluoroacetate salt)
Formula: C98H168N28O22S3 • XCF3COOH
36954
OC(C(F)(F)F)=O.O=C(N[C@@H](CCCCN[H])C(N[C@@H](CCSC)C(N[C@@H](CCSC)C(N[C@@H](CCCCN[H])C(N[C@@H](CCCCN[H])C(NCC(NCC(N[C@@H](CCCCN[H])C(N[C@H](C(NCC(N[C@]([C@H](O)C)([H])C(N[C@H](C(N[C@@H](CCSC)C(N[C@H](C(N[C@@](C(NCC(NCC(N[C@@](C(N[C@@H](CCCNC(N)=N)C(O)=O)=
AMPRENAVIR
CAS:161814-49-9
Formula: C25H35N3O6S
15369
NC1=CC=C(S(N(C[C@@H](O)[C@H](CC2=CC=CC=C2)NC(O[C@H]3CCOC3)=O)CC(C)C)(=O)=O)C=C1
AMPRENAVIR-D4
CAS:2738376-78-6
Formula: C25H31D4N3O6S
28703
NC1=C([2H])C([2H])=C(S(N(C[C@@H](O)[C@H](CC2=CC=CC=C2)NC(O[C@H]3CCOC3)=O)CC(C)C)(=O)=O)C([2H])=C1[2H]
AMPROLIUM (HYDROCHLORIDE)
CAS:137-88-2
Formula: C14H19N4 • Cl [HCl]
25506
CC1=CC=CC=[N+]1CC2=C(N)N=C(CCC)N=C2.[Cl-].Cl
AMT (HYDROCHLORIDE)
CAS:21463-31-0
Formula: C5H10N2S • HCl
81010
CC1CCN=C(N)S1
AMTB
CAS:926023-82-7
Formula: C23H26N2O2S • HCl
25336
O=C(N(CCCN)CC1=CC=CS1)C2=CC=CC=C2OCC3=CC(C)=CC=C3.Cl
AMTHAMINE (HYDROBROMIDE)
CAS:142457-00-9
Formula: C6H11N3S • 2HBr
29503
NC1=NC(C)=C(CCN)S1.Br.Br
AMUVATINIB
CAS:850879-09-3
Formula: C23H21N5O3S
21461
S=C(N([H])CC1=CC=C(OCO2)C2=C1)N(CC3)CCN3C4=NC=NC5=C4OC6=C5C=CC=C6
AMX12006
CAS:2639775-01-0
Formula: C26H22F3N3O3
39027
O=C(C1=C(NC2=CC(C(F)(F)F)=CC=C2)C(C=CC=C3)=C3N1C)N[C@@H](C)C4=CC=C(C(O)=O)C=C4
AMYCOLATOPSIN A
CAS:2209112-96-7
Formula: C60H98O23
31672
CC1C(O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC)[C@@H](C)O2)/C(C)=C/C(C)=C/C(C)=C/C(O)C(OC)CC([C@@H](C)[C@@]3(O)[C@H](OC)[C@@H](O)[C@@](O[C@@H]4O[C@H](C)[C@@H](O[C@@]5([H])C[C@@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)C4)(C)[C@@H](CCCOC)O3)OC(/C(C)=C/C(OC)=C\C(CO)=C/1)
AMYCOLATOPSIN B
CAS:2209112-97-8
Formula: C60H98O22
31677
CC1C(O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC)[C@@H](C)O2)/C(C)=C/C(C)=C/C(C)=C/C(O)C(OC)CC([C@@H](C)[C@@]3(O)[C@H](OC)[C@@H](O)[C@@](O[C@@H]4O[C@H](C)[C@@H](O[C@@]5([H])C[C@@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)C4)(C)[C@@H](CCCOC)O3)OC(/C(C)=C/C(OC)=C\C(C)=C/1)=
AMYCOLATOPSIN C
Formula: C47H76O17
33255
CC(/C=C(CO)/C=C(OC)/C=C1\C)C(O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC)[C@@H](C)O2)/C(C)=C/C(C)=C/C(C)=C\C(O)C(OC)CC([C@H](C)[C@@]3(O)[C@H](OC)[C@@H](O)[C@@](O)(C)[C@@H](CCCOC)O3)OC1=O
AMYGDALIN
CAS:29883-15-6
Formula: C20H27NO11
26668
OC[C@H]1O[C@@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H](C#N)C3=CC=CC=C3)O2)[C@H](O)[C@@H](O)[C@@H]1O
AMYLIN (1-13) (HUMAN, MOUSE, RAT), (TRIFLUOROACETATE SALT)
Formula: C54H95N19O19S2 • XCF3COOH
24893
[H]N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N[C@H](C(N[C@]([C@@H](C)O)([H])C1=O)=O)C)=O)=O)=O)CSSC[C@H](N1)C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)C)=O)=O)=O)=O)=O
AMYLIN (8-37) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C138H215N41O46 • XCF3COOH
24894
[H]N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(NCC(N[C@H](C(
AMYLIN (HUMAN) (AMIDATED) (TRIFLUOROACETATE SALT)
Formula: C165H261N51O55S2 • XCF3COOH
24895
NC([C@@H](NC([C@@]([C@@H](C)O)([H])NC([C@H](CC(N)=O)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@]([C@@H](C)O)([H])NC([C@H](CO)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@@]([C@H](CC)C)([H])NC([C@@H](NC(CNC([C@@H](NC([C@H](CC(N)=O)NC([C@H](CC(N)=O)NC([C@H
AMYLIN (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C165H260N50O56S2 • XCF3COOH
24274
[H]N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N[C@H](C(N[C@]([C@@H](C)O)([H])C1=O)=O)C)=O)=O)=O)CSSC[C@H](N1)C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C
AMYLIN (RAT, MOUSE) (TRIFLUOROACETATE SALT)
Formula: C167H272N52O53S2 • XCF3COOH
24275
NC([C@@H](NC([C@@]([C@@H](C)O)([H])NC([C@H](CC(N)=O)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@]([C@@H](C)O)([H])NC([C@@H]1CCCN1C([C@@H]2CCCN2C([C@H](CC(C)C)NC([C@H](C(C)C)NC([C@@H]3CCCN3C(CNC([C@H](CC(C)C)NC([C@H](CC(N)=O)NC([C@H](CC(N)=O)NC(
AMYLMETACRESOL
CAS:1300-94-3
Formula: C12H18O
40290
OC1=CC(C)=CC=C1CCCCC
Amyloid-ß (1-28) Peptide (human) (trifluoroacetate salt)
Formula: C145H209N41O46 • XCF3COOH
27107
[H]N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[
Amyloid-ß (1-38) Peptide (trifluoroacetate salt)
Formula: C184H277N51O56S • XCF3COOH
27418
O=C(O)C(F)(F)F.[H]N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H
Amyloid-ß (1-40) Peptide (human) (trifluoroacetate salt)
Formula: C194H295N53O58S • XCF3COOH
21617
[H]N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[
Amyloid-ß (1-42) Peptide (trifluoroacetate salt)
Formula: C203H311N55O60S • XCF3COOH
20574
[H]N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[
Amyloid-ß (17-40) Peptide (human) (trifluoroacetate salt)
Formula: C110H178N26O31S • XCF3COOH
27414
[H]N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(NCC(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H
Amyloid-ß (17-42) Peptide (human) (trifluoroacetate salt)
Formula: C119H194N28O33S • XCF3COOH
27415
[H]N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(NCC(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H
Amyloid-ß (22-35) Peptide (trifluoroacetate salt)
Formula: C59H102N16O21S • XCF3COOH
27417
O=C(O)C(F)(F)F.[H]N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(NCC(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCSC)=O)=O)=O)=O)=O)C)=O)=O)=O)=O)=O)=O)=O)CC(
Amyloid-ß (25-35) Peptide (human) (trifluoroacetate salt)
Formula: C45H81N13O14S • XCF3COOH
24155
O=C([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC(CN)=O)CO)=O)CC(N)=O)=O)CCCCN)=O)=O)C)=O)[C@H](CC)C)N[C@H](C(NCC(N[C@H](C(N[C@@H](CCSC)C(O)=O)=O)CC(C)C)=O)=O)[C@H](CC)C.FC(F)(C(O)=O)F
Amyloid-ß (40-1) Peptide (human) (trifluoroacetate salt)
Formula: C194H295N53O58S • XCF3COOH
27112
OC(C(F)(F)F)=O.[H]N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(NCC(NCC(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CC(C)C)C(NCC(N[C@]([C@H](CC)C)([H])C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(NCC(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CCC(O)
Amyloid-ß Precursor Protein (96-110) Peptide (cyclized) (human) (trifluoroacetate salt)
Formula: C81H128N32O19S2 • XCF3COOH
27419
O=C(O)C(F)(F)F.NC([C@@H](NC([C@@H]1CCCN1C([C@@H](NC([C@@]([C@@H](C)O)([H])NC([C@H](CCCCN)NC([C@@H](N2)CSSC[C@H](NC([C@@H](NC([C@H](CC(N)=O)NC(C)=O)=O)CC3=CNC4=C3C=CC=C4)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C
AMYLOSE
CAS:9005-82-7
Formula: (C6H10O5)n
17664
OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO
AN-2690
CAS:174671-46-6
Formula: C7H6BFO2
23101
FC1=CC=C(B(O)OC2)C2=C1
AN-7
CAS:691410-93-2
Formula: C19H34N2O2S4
1.00062e+007
O=C(CCCCC1SSCC1)NCCCNC(=O)CCCCC1SSCC1
AN2718
CAS:174672-06-1
Formula: C7H6BClO2
20708
ClC1=CC=C(B(O)OC2)C2=C1
AN2728
CAS:906673-24-3
Formula: C14H10BNO3
21455
OB(OC1)C(C1=C2)=CC=C2OC3=CC=C(C#N)C=C3
AN3365 (HYDROCHLORIDE)
CAS:1234563-16-6
Formula: C11H16BNO4 • HCl
20572
OB1O[C@H](CN)C2=CC=CC(OCCCO)=C21.Cl
ANA-12
CAS:219766-25-3
Formula: C22H21N3O3S
14309
O=C(NC1C(NCCCC1)=O)C2=CC=CC=C2NC(C3=CC4=C(C=CC=C4)S3)=O
ANACARDIC ACID
CAS:16611-84-0
Formula: C22H36O3
13144
CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O
ANACARDIC ACID DIENE
CAS:103904-74-1
Formula: C22H32O3
22663
OC1=CC=CC(CCCCCCC/C=C\C/C=C\CCC)=C1C(O)=O
ANACARDIC ACID MONOENE
CAS:22910-60-7
Formula: C22H34O3
18422
OC1=CC=CC(CCCCCCC/C=C\CCCCCC)=C1C(O)=O
ANACARDIC ACID TRIENE
CAS:103904-73-0
Formula: C22H30O3
26611
OC1=CC=CC(CCCCCCC/C=C\C/C=C\CC=C)=C1C(O)=O
ANACETRAPIB
CAS:875446-37-0
Formula: C30H25F10NO3
21558
FC1=C(C(C)C)C=C(C2=C(CN3C(O[C@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)[C@@H]3C)=O)C=C(C(F)(F)F)C=C2)C(OC)=C1
ANAGLIPTIN
CAS:739366-20-2
Formula: C19H25N7O2
36188
O=C(N1[C@@H](CCC1)C#N)CNC(C)(C)CNC(C2=CN3C(N=C2)=CC(C)=N3)=O
ANAGRELIDE (HYDROCHLORIDE)
CAS:58579-51-4
Formula: C10H7Cl2N3O • HCl
21411
ClC1=C(CN(C2)C(N3)=NC2=O)C3=CC=C1Cl.Cl
ANAGRELIDE-13C3
Formula: C7[13C]3H7Cl2N3O
33280
ClC1=C([13CH2]N([13CH2]2)C(N3)=N[13C]2=O)C3=CC=C1Cl
ANASTROZOLE-D12
CAS:120512-32-5
Formula: C17H7D12N5
25360
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C#N)C1=CC(C(C([2H])([2H])[2H])(C#N)C([2H])([2H])[2H])=CC(CN2C=NC=N2)=C1
ANCYMIDOL
CAS:12771-68-5
Formula: C15H16N2O2
33311
OC(C1=CC=C(C=C1)OC)(C2CC2)C3=CN=CN=C3
ANDRASTIN A
CAS:174232-42-9
Formula: C28H38O7
22067
CC1=C[C@]2([H])[C@]([C@@](C(C3C)=O)(C(OC)=O)[C@]1(C)C3=O)(C)CC[C@]4([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]42C=O
ANDROGRAPHOLIDE
CAS:5508-58-7
Formula: C20H30O5
11679
C=C1CC[C@]2([H])[C@@](CO)(C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C3C(OC[C@H]3O)=O
ANDROSIN
CAS:531-28-2
Formula: C15H20O8
36191
COC(C=C(C=C1)C(C)=O)=C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
ANDROST-3,5-DIENE-7,17-DIONE
CAS:1420-49-1
Formula: C19H24O2
23086
O=C1CC[C@@]2([H])[C@]3([H])C(C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
ANDROSTA-1,4-DIENE-3,17-DIONE
CAS:897-06-3
Formula: C19H24O2
24081
C[C@@]12[C@](CCC2=O)([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3([H])CC1)=O
ANDROSTERONE
CAS:53-41-8
Formula: C19H30O2
15872
O=C1CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
ANECORTAVE ACETATE
CAS:7753-60-8
Formula: C23H30O5
36441
C[C@@]12[C@](CC[C@]2(O)C(COC(C)=O)=O)([H])[C@@]3([H])C([C@@]4(C(CC3)=CC(CC4)=O)C)=CC1
ANETHOL
CAS:104-46-1
Formula: C10H12O
31398
CC=CC(C=C1)=CC=C1OC
ANETHOLE TRITHIONE
CAS:532-11-6
Formula: C10H8OS3
35397
COC1=CC=C(C(SS2)=CC2=S)C=C1
ANGELI'S SALT
CAS:13826-64-7
Formula: Na2(ONNO2)
82230
[O-]N=N([O-])=O.[Na+].[Na+]
ANGELICIN
CAS:523-50-2
Formula: C11H6O3
11683
O=C1C=CC2=C(C(C=CO3)=C3C=C2)O1
Angiotensin A (trifluoroacetate salt)
Formula: C49H71N13O10 • XCF3COOH
36063
OC(C=C1)=CC=C1C[C@H](NC([C@H](C(C)C)NC([C@@H](NC([C@@H](N)C)=O)CCCNC(N)=N)=O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC2=CN=CN2)C(N3[C@H](C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)CCC3)=O)=O)=O.OC(C(F)(F)F)=O
ANGIOTENSIN FRAGMENT 1-7 (ACETATE)
Formula: C41H62N12O11 • XC2H4O2
17594
O=C([C@H](CC1=CNC=N1)NC([C@@]([H])(NC([C@H](CC2=CC=C(C=C2)O)NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CCCNC(N)=N)=O)C(C)C)=O)=O)[C@H](CC)C)=O)N3CCC[C@H]3C(O)=O.CC(O)=O
ANGIOTENSIN I (HUMAN, RAT, MOUSE) (TRIFLUOROACETATE SALT)
Formula: C62H89N17O14 • XCF3COOH
24737
C[C@@H](CC)[C@]([H])(NC([C@@H](NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@@H](N)CC(O)=O)=O)=O)=O)CC1=CC=C(C=C1)O)=O)C(N[C@@H](CC2=CNC=N2)C(N3[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)CC4=CN=CN4)=O)CC5=CC=CC=C5)=O)CCC3)=O)=O.FC(F)(C(O)=O)F
ANGIOTENSIN II (3-8) (HUMAN, RAT, MOUSE) (TRIFLUOROACETATE SALT)
Formula: C40H54N8O8 • XCF3COOH
24738
C[C@@H](CC)[C@]([H])(NC([C@@H](NC([C@H](C(C)C)N)=O)CC1=CC=C(C=C1)O)=O)C(N[C@@H](CC2=CNC=N2)C(N3[C@H](C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)CCC3)=O)=O.FC(F)(C(O)=O)F
ANGIOTENSIN II (5-8) (HUMAN, RAT, MOUSE) (TRIFLUOROACETATE SALT)
Formula: C26H36N6O5 • XCF3COOH
24739
C[C@@H](CC)[C@]([H])(N)C(N[C@@H](CC1=CNC=N1)C(N2[C@H](C(N[C@H](C(O)=O)CC3=CC=CC=C3)=O)CCC2)=O)=O.OC(C(F)(F)F)=O
ANGIOTENSIN II (HUMAN) (ACETATE)
CAS:68521-88-0
Formula: C50H71N13O12 • XC2H4O2
17150
C[C@@H](CC)[C@]([H])(NC([C@@H](NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](CC(O)=O)N)=O)=O)=O)CC1=CC=C(C=C1)O)=O)C(N[C@@H](CC2=CNC=N2)C(N3[C@H](C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)CCC3)=O)=O.OC(C)=O
ANGIOTENSIN III (HUMAN, MOUSE)
CAS:13602-53-4
Formula: C46H66N12O9
21618
C[C@@H](CC)[C@]([H])(NC([C@@H](NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)N)=O)=O)CC1=CC=C(C=C1)O)=O)C(N[C@@H](CC2=CNC=N2)C(N3[C@H](C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)CCC3)=O)=O
ANGIOTENSINOGEN (1-13) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C79H116N22O17 • XCF3COOH
24988
[H]N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(O)=O)CC2=CN=CN2)=O)=O)=O)=O)CC3=CN=CN3)=O)CC4=CC=CC=C4)=O)=O)CC5=CN
ANGIOTENSINOGEN (1-14) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C83H122N24O19 • XCF3COOH
24989
[H]N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N[C@@H](CC(N)=O)C(O)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)CC3=CN=CN3)=O)CC4=
ANGUINOMYCIN A
CAS:111278-01-4
Formula: C31H44O6
20598
O=C1OC(/C=C/C(C)=C/C(C)C/C=C/C(C)=C/C(C)C(C(C)C(O)C(C)C/C(C)=C/C(O)=O)=O)CC=C1
ANHYDROCHLORTETRACYCLINE (HYDROCHLORIDE)
CAS:65490-24-6
Formula: C22H21ClN2O7 • HCl
19941
OC1=C2C(O)=CC=C(Cl)C2=C(C)C3=C1C([C@@](C(C(C(N)=O)=C(O)[C@H]4N(C)C)=O)(O)[C@@]4([H])C3)=O.Cl
ANHYDROEPIOPHIOBOLIN A
CAS:90411-20-4
Formula: C25H34O3
28026
O=C/C1=C/C[C@]2([H])[C@@](CC[C@]23[C@@H](C)C[C@H](/C=C(C)\C)O3)(C)C[C@@]4([H])[C@@]1([H])C(C=C4C)=O
ANHYDROERYTHROMYCIN A
CAS:23893-13-2
Formula: C37H65NO12
27960
C[C@@H]1C[C@@]([C@H](O[C@@]2([H])[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@@]3([H])C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@H]4C)(C)O[C@]51[C@H](C)[C@@H](O)[C@@](O5)(C)[C@@H](CC)OC4=O
ANHYDROOPHIOBOLIN A
CAS:6026-65-9
Formula: C25H34O3
25483
O=C/C1=C/C[C@]2([H])[C@@](CC[C@]23[C@@H](C)C[C@H](/C=C(C)\C)O3)(C)C[C@@]4([H])[C@]1([H])C(C=C4C)=O
ANHYDROTETRACYCLINE (HYDROCHLORIDE)
CAS:13803-65-1
Formula: C22H22N2O7 • HCl
1.00095e+007
OC1=CC=CC2=C(C)C(C[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C3=O)([H])[C@]3(O)C4=O)=C4C(O)=C21.Cl
ANI 9
CAS:356102-14-2
Formula: C17H17ClN2O3
29733
ClC1=CC=C(OCC(N/N=C/C2=CC=CC=C2OC)=O)C(C)=C1
ANIDULAFUNGIN
CAS:166663-25-8
Formula: C58H73N7O17
20753
O=C1[C@@]([C@@H](O)[C@@H](C)C2)([H])N2C([C@@]([C@H](O)C)([H])NC([C@H]([C@H](O)[C@@H](O)C3=CC=C(O)C=C3)NC([C@@]4([H])N(C([C@H]([C@H](O)C)NC([C@@H](NC(C5=CC=C(C6=CC=C(C7=CC=C(OCCCCC)C=C7)C=C6)C=C5)=O)C[C@@H](O)[C@@H](O)N1)=O)=O)C[C@H](O)C4)=O)=O)=O
ANIRACETAM
CAS:72432-10-1
Formula: C12H13NO3
17752
COC1=CC=C(C(N2CCCC2=O)=O)C=C1
ANKAFLAVIN
CAS:50980-32-0
Formula: C23H30O5
39546
C[C@]12[C@@](CC3=C(COC(/C=C/C)=C3)C2=O)([H])[C@H](C(O1)=O)C(CCCCCCC)=O
ANLE138B
CAS:882697-00-9
Formula: C16H11BrN2O2
34259
BrC1=CC=CC(C2=CC(C3=CC=C4C(OCO4)=C3)=NN2)=C1
ANLOTINIB (HYDROCHLORIDE)
CAS:1058157-76-8
Formula: C23H22FN3O3 • HCl
27655
COC1=C(OCC2(N)CC2)C=C3C(C(OC4=C(F)C5=C(NC(C)=C5)C=C4)=CC=N3)=C1.Cl
ANNAOSANCHUN
CAS:4725-51-3
Formula: C19H32O3
37572
C[C@@]12[C@]3([H])[C@](C[C@H]([C@]1(C[C@H](CC2)O)O)O)([H])[C@@]4([H])[C@](CC3)(CCC4)C
ANNONACIN
CAS:111035-65-5
Formula: C35H64O7
22415
O=C1O[C@@H](C)C=C1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@@]2([H])CC[C@@]([C@H](O)CCCCCCCCCCCC)([H])O2
ANSAMITOCIN P-3
CAS:66547-09-9
Formula: C32H43ClN2O9
20538
C[C@@]1([C@@H](O1)[C@H](C)[C@]([H])(C[C@](N2)(O)[C@]([H])(OC)/C=C/C=C(CC3=CC(OC)=C(Cl)C4=C3)\C)OC2=O)[C@@]([H])(OC(CCC)=O)CC(N4C)=O
ANSATRIENIN A
CAS:82189-03-5
Formula: C36H48N2O8
21995
O=C(N[C@H](C)C(O[C@H]([C@H](C)[C@@H](O)/C(C)=C\CCC(C(C(N1)=C2)=O)=CC2=O)C/C=C/C=C/C=C/[C@H](OC)CC1=O)=O)C3CCCCC3
ANSATRIENIN B
CAS:82189-04-6
Formula: C36H50N2O8
21996
O=C(N[C@H](C)C(O[C@H]([C@H](C)[C@@H](O)/C(C)=C\CCC1=CC(O)=CC(N2)=C1O)C/C=C/C=C/C=C/[C@H](OC)CC2=O)=O)C3CCCCC3
ANTAGONIST G (TRIFLUOROACETATE SALT)
Formula: C49H66N12O6S • XCF3COOH
34425
CSCC[C@@H](C(N)=O)NC([C@H](CC(C)C)NC([C@@H](CC1=CNC2=CC=CC=C12)NC([C@H](CC3=CC=CC=C3)N(C)C([C@H](NC([C@@H](N)CCCNC(N)=N)=O)CC4=CNC5=CC=CC=C45)=O)=O)=O)=O.OC(C(F)(F)F)=O
ANTALARMIN (HYDROCHLORIDE)
CAS:220953-69-5
Formula: C24H34N4 • HCl
15147
CC1=C(C)C2=C(N(CC)CCCC)N=C(C)N=C2N1C3=C(C)C=C(C)C=C3C.Cl
Antazoline (hydrochloride)
CAS:2508-72-7
Formula: C17H19N3 • HCL
23415
C1(CN(CC2=NCCN2)C3=CC=CC=C3)=CC=CC=C1.Cl
ANTHIRINE
CAS:16049-28-8
Formula: C19H24N2O
31343
C=C[C@@H](CO)[C@@]1([H])CCN([C@@]2([H])C1)CCC3=C2NC4=CC=CC=C43
ANTHRAFLAVIC ACID
CAS:84-60-6
Formula: C14H8O4
39246
O=C1C2=CC=C(C=C2C(C3=CC=C(C=C13)O)=O)O
ANTHRALIN
CAS:1143-38-0
Formula: C14H10O3
28371
OC1=C2C(CC(C=CC=C3O)=C3C2=O)=CC=C1
ANTHRANILIC ACID
CAS:118-92-3
Formula: C7H7NO2
18708
OC(C1=C(N)C=CC=C1)=O
ANTIBIOTIC PF 1052
CAS:147317-15-5
Formula: C26H39NO4
27743
CC1CC(C)C2C(C=CC(C3(C)C(C)O3)C2/C(O)=C4C(N(C)C(C(C)CC)C\4=O)=O)C1
ANTIDE (ACETATE)
CAS:625092-10-6
Formula: C82H108ClN17O14 • C2H4O2
31486
ClC(C=C1)=CC=C1C[C@@H](NC([C@H](NC(C)=O)CC2=CC3=C(C=CC=C3)C=C2)=O)C(N[C@H](CC4=CN=CC=C4)C(N[C@@H](CO)C(N[C@@H](CCCCNC(C5=CN=CC=C5)=O)C(N[C@H](CCCCNC(C6=CN=CC=C6)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCNC(C)C)C(N7[C@@H](CCC7)C(N[C@H](C)C(N)=O)=O)=O)=O)=O)=O)=O)=
ANTILEUKINATE
CAS:138559-60-1
Formula: C45H66N18O7S
17359
CC(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N)=O)=O)CS)=O)=O)=O)=O)CCCNC(N)=N)=O
ANTIMYCIN A3
CAS:522-70-3
Formula: C26H36N2O9
21998
CC(C)CC(O[C@@H]([C@@H]1C)[C@H](C(O[C@@H]([C@@H](C(O1)=O)NC(C(C=CC=C2NC([H])=O)=C2O)=O)C)=O)CCCC)=O
ANTIMYCIN A4
CAS:27220-59-3
Formula: C25H34N2O9
21999
CCCC(O[C@@H]([C@@H]1C)[C@H](C(O[C@@H]([C@@H](C(O1)=O)NC(C(C=CC=C2NC([H])=O)=C2O)=O)C)=O)CCCC)=O
ANTIPAIN (HYDROCHLORIDE)
CAS:37682-72-7
Formula: C27H44N10O6 • 2HCl
26705
O=C(O)C(NC(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(NC(C=O)CCCNC(N)=N)=O)=O)=O)CC1=CC=CC=C1.Cl.Cl
ANTISAUVAGINE-30 (TRIFLUOROACETATE SALT)
Formula: C161H274N48O46S • XCF3COOH
34271
O=C([C@@H](CC1=CC=CC=C1)N)N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@]([H])([C@H](CC)C)C(N[C@H](C(N[C@@]([H])([C@H](CC)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C)C(N[C@@H]
ANTRODIN A
CAS:656830-24-9
Formula: C19H22O4
36094
C/C(C)=C/COC1=CC=C(C=C1)C(C(O2)=O)=C(CC(C)C)C2=O
AOD-9604 (acetate)
Formula: C78H123N23O23S2 • XC2H4O2
36790
OC(C=C1)=CC=C1C[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H]2C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CSSC2)C(NCC(N[C@H](C(O)=O)CC3=CC=CC=C3)=O)=O)=O)CO)=O)=O)CCC(O)=O)=
AOH1996
CAS:2089314-64-5
Formula: C26H22N2O4
39526
O=C(C1=CC=CC2=C1C=CC=C2)NCC(NC3=C(C=CC=C3)OC4=CC=CC(OC)=C4)=O
AP-1
Formula: C39H40ClN9O8S
38875
O=C(CNC1=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=CC=C1)N4CCN(C5=CC(OC)=C(NC6=NC(NC7=CC=CC=C7S(C(C)C)(=O)=O)=C(Cl)C=N6)C=C5)CC4
AP-18
CAS:55224-94-7
Formula: C11H12ClNO
11912
ClC1=CC=C(/C=C(C)/C(C)=N/O)C=C1
AP-237 (HYDROCHLORIDE)
CAS:17730-82-4
Formula: C17H24N2O • HCl
26484
CCCC(N1CCN(C/C=C/C2=CC=CC=C2)CC1)=O.Cl
AP-238 (HYDROCHLORIDE)
CAS:2749171-05-7
Formula: C18H26N2O • HCl
31128
CCC(N1C(C)CN(C/C=C/C2=CC=CC=C2)CC1C)=O.Cl
AP-III-A4
CAS:1177827-73-4
Formula: C31H43FN8O3
19933
FC(C=C1)=CC=C1CNC2=NC(NC3=CC=C(CC(NCCOCCOCCN)=O)C=C3)=NC(NCC4CCCCC4)=N2
AP1189 (acetate)
CAS:959850-74-9
Formula: C14H14N6O2 • C2H4O2
37400
O=C(C)O.N=C(N)NN=CC=CC1=CC=CN1C2=CC=CC=C2[N+]([O-])=O
AP20187
CAS:195514-80-8
Formula: C82H107N5O20
36808
O=C(N1[C@@H](CCCC1)C(O[C@@H](C2=CC(OCC(NCC(CN(C)C)CNC(COC3=CC([C@@H](CCC4=CC(OC)=C(C=C4)OC)OC([C@H]5N(CCCC5)C([C@H](C6=CC(OC)=C(C(OC)=C6)OC)CC)=O)=O)=CC=C3)=O)=O)=CC=C2)CCC7=CC(OC)=C(C=C7)OC)=O)[C@H](C8=CC(OC)=C(C(OC)=C8)OC)CC
APAFANT
CAS:105219-56-5
Formula: C22H22ClN5O2S
14532
CC1=NN=C(N21)CN=C(C3=C(Cl)C=CC=C3)C4=C2SC(CCC(N5CCOCC5)=O)=C4
APAMIN (TRIFLUOROACETATE SALT)
CAS:24345-16-2
Formula: C79H131N31O24S4 • XCF3COOH
17082
O=C([C@]1(N(CCC1)C([C@H](C)NC([C@H](CCCCN)NC([C@@]([H])(NC([C@@H](CC(N)=O)NC([C@@](N)([H])CSSC2)=O)=O)CSSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CNC=N3)C(N)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)NC([C@H](CCCNC(N)=N)NC4=O)=O)=O)=O)=O)[H])N[C@@H](CCC(O)=O)C(N[C@@H](
APATINIB
CAS:811803-05-1
Formula: C24H23N5O
21268
O=C(C1=CC=CN=C1NCC2=CC=NC=C2)NC3=CC=C(C4(C#N)CCCC4)C=C3
APATINIB-D8
CAS:2468771-43-7
Formula: C24H15D8N5O
35055
O=C(C1=CC=CN=C1NCC2=CC=NC=C2)NC3=CC=C(C4(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])C=C3
APC 366 (TRIFLUOROACETATE SALT)
Formula: C22H28N6O4 • XCF3COOH
25990
OC1=C(C(N[C@@H](CCCNC(N)=N)C(N2[C@H](C(N)=O)CCC2)=O)=O)C=CC3=CC=CC=C31.FC(F)(C(O)=O)F
APCIN
CAS:300815-04-7
Formula: C13H14Cl3N7O4
17080
CC1=NC=C([N+]([O-])=O)N1CCOC(NC(C(Cl)(Cl)Cl)NC2=NC=CC=N2)=O
APD597
CAS:897732-93-3
Formula: C21H29N5O6S
22950
CC(OC(N1CCC(OC2=C(OC)C(NC3=C(C)N=C(S(C)(=O)=O)C=C3)=NC=N2)CC1)=O)C
APD668
CAS:832714-46-2
Formula: C21H24FN5O5S
17642
CC(C)OC(N1CCC(OC2=NC=NC3=C2C=NN3C4=CC=C(S(C)(=O)=O)C=C4F)CC1)=O
Apelin-12 (human, mouse, rat, bovine) (acetate)
Formula: C64H103N21O14S • XC2H4O2
36888
O=C([C@H]1N(CCC1)C(CNC([C@H](CCCCN)NC([C@@H](NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)C([C@@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)CC3=CN=CN3)=O)=O)=O)N[C@@H](CCSC)C(N4[C@@H](CCC4)C(N[C@H](C(O)=O)CC5=CC=CC=C5)=O)=O.CC(O)=O
APELIN-13 (TRIFLUOROACETATE SALT)
Formula: C69H111N23O16S • XCF3COOH
13523
O=C([C@H](CCSC)NC(C1N(C(CNC([C@H](CCCCN)NC([C@@H](NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC([C@H]2N(C([C@@H](NC([C@@H](N)CCC(N)=O)=O)CCCNC(N)=N)=O)CCC2)=O)=O)=O)=O)CC3=CN=CN3)=O)=O)=O)CCC1)=O)N4[C@H](C(N[C@H](C(O)=O)CC5=CC=CC=C5)=O)CCC4.OC(C(F)(F
Apelin-36 (trifluoroacetate salt)
Formula: C184H297N69O43S • XCF3COOH
13524
[H]N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(NCC(N2CCC[C@H]2C(NCC(N3CCC[C@H]3C(N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)
APHA COMPOUND 8
CAS:676599-90-9
Formula: C16H16N2O3
21228
CN1C=C(C(CC2=CC=CC=C2)=O)C=C1/C=C/C(NO)=O
APIGENIN
CAS:520-36-5
Formula: C15H10O5
1.00103e+007
Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1
APIGENIN 7-GLUCOSIDE
CAS:578-74-5
Formula: C21H20O10
26813
O[C@H]1[C@H](OC2=CC(O)=C(C(C=C(C3=CC=C(O)C=C3)O4)=O)C4=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
APIGENIN 7-O-GLUCURONIDE (HYDRATE)
Formula: C21H18O11 • XH2O
33754
O=C1C2=C(O)C=C(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(O)=O)C=C2OC(C4=CC=C(C=C4)O)=C1.O
APIGENIN-7-O-(2G-RHAMNOSYL)GENTIOBIOSIDE
CAS:174284-20-9
Formula: C33H40O19
35893
O=C1C2=C(O)C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C=C2OC(C6=CC=C(C=C6)O)=C1
APIGENIN-D5
CAS:263711-74-6
Formula: C15H5D5O5
22106
OC1=C([2H])C(O)=C(C(C([2H])=C(C2=CC([2H])=C(O)C([2H])=C2)O3)=O)C3=C1[2H]
APIGENINIDIN (CHLORIDE)
CAS:1151-98-0
Formula: C15H11O4 • Cl
19756
OC1=CC(O)=C(C=CC(C2=CC=C(O)C=C2)=[O+]3)C3=C1.[Cl-]
APIIN
CAS:26544-34-3
Formula: C26H28O14
34596
O=C1C2=C(O)C=C(O[C@H]3[C@H](O[C@@]4([H])[C@H](O)[C@](CO)(O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2OC(C5=CC=C(O)C=C5)=C1
APILIMOD
CAS:541550-19-0
Formula: C23H26N6O2
19094
CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC4=NC=CC=C4)=N2)=C1
APIXABAN
CAS:503612-47-3
Formula: C25H25N5O4
15427
O=C1CCCCN1C2=CC=C(N3CCC(C(C(N)=O)=NN4C5=CC=C(OC)C=C5)=C4C3=O)C=C2
APIXABAN-13C-D3
CAS:1261393-15-0
Formula: C24[13C]H22D3N5O4
25034
O=C1CCCCN1C2=CC=C(N3CCC(C(C(N)=O)=NN4C5=CC=C(O[13C]([2H])([2H])[2H])C=C5)=C4C3=O)C=C2
APO-ENOPEPTIN METHYL ESTER
Formula: C48H61N7O12
31780
O=C(OC)[C@@](C[C@@H](C)C1)([H])N1C([C@H](C)NC([C@H](C)N(C)C([C@]2([H])CCCN2C([C@@](CO)([H])NC([C@@H](NC(/C=C/C=C/C=C/C=C/C=C/C(NC3=C(O)CCC3=O)=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O
APO-ENTEROBACTIN
CAS:30414-16-5
Formula: C30H29N3O16
31760
O=C(C1=C(C(O)=CC=C1)O)N[C@H](C(O)=O)COC([C@H](COC([C@H](CO)NC(C2=C(C(O)=CC=C2)O)=O)=O)NC(C3=C(C(O)=CC=C3)O)=O)=O
APOCAROTENAL
CAS:1107-26-2
Formula: C30H40O
37231
O=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
APOCYNIN
CAS:498-02-2
Formula: C9H10O3
11976
CC(C1=CC(OC)=C(O)C=C1)=O
APOPTOLIDIN
CAS:194874-06-1
Formula: C58H96O21
19435
O[C@H]([C@](OC(/C(C)=C/C(C)=C/C(C)=C/[C@@H](C)[C@H](O[C@@](O[C@@H](C)[C@H](OC)[C@H]1O)([H])[C@H]1O)/C=C/C(C)=C/CC2)=O)([H])C[C@@H]([C@H]2O)OC)[C@](O[C@@H]3C[C@H](COC)O[C@H](O[C@@H](C)[C@@H]4O[C@@](O[C@H](C)[C@H]5O)([H])C[C@H]5OC)C[C@@]4(O)C)([C@@H]([
APOPTOSIS ACTIVATOR 2
CAS:79183-19-0
Formula: C15H9Cl2NO2
1.00042e+007
O=C1C(C2=CC=CC=C2N1CC3=CC=C(Cl)C(Cl)=C3)=O
APOPTOZOLE
CAS:1054543-47-3
Formula: C33H25F6N3O3
17675
COC(C=C1)=CC=C1C2=C(C3=CC=C(OC)C=C3)N(CC4=CC=C(C(N)=O)C=C4)C(C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)=N2
APP-BUTINACA PHENYLPROPANOIC ACID METABOLITE
Formula: C21H23N3O3
31279
O=C(N[C@H](C(O)=O)CC1=CC=CC=C1)C2=NN(CCCC)C3=C2C=CC=C3
APP-PICA PHENYLPROPANOIC ACID METABOLITE
Formula: C23H26N2O3
31280
O=C(N[C@H](C(O)=O)CC1=CC=CC=C1)C2=CN(CCCCC)C3=C2C=CC=C3
APRAMYCIN (SULFATE HYDRATE)
Formula: C21H41N5O11 • XH2SO4 [XH2O]
19688
OC[C@H]([C@@H](N)[C@H](O)[C@H]1O)O[C@]1([H])O[C@@H]2[C@@H](NC)[C@@H](O)[C@@]3([H])O[C@H](O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](N)C[C@@H]4N)[C@H](N)C[C@]3([H])O2.OS(O)(=O)=O.O
APREMILAST
CAS:608141-41-9
Formula: C22H24N2O7S
18502
O=C1N([C@H](CS(C)(=O)=O)C2=CC(OCC)=C(OC)C=C2)C(C3=C(NC(C)=O)C=CC=C31)=O
APREMILAST-D5
CAS:1258597-47-5
Formula: C22H19D5N2O7S
22553
O=C1N([C@H](CS(C)(=O)=O)C2=CC(OC([2H])([2H])C([2H])([2H])[2H])=C(OC)C=C2)C(C3=C(NC(C)=O)C=CC=C31)=O
APREPITANT
CAS:170729-80-3
Formula: C23H21F7N4O3
14867
C[C@@H](O[C@@H]1[C@H](C2=CC=C(F)C=C2)N(CC(NN3)=NC3=O)CCO1)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4
APRICITABINE
CAS:160707-69-7
Formula: C8H11N3O3S
36037
O=C1N(C=CC(N)=N1)[C@]2([H])S[C@H](CO)OC2
APROCITENTAN
CAS:1103522-45-7
Formula: C16H14Br2N6O4S
34915
O=S(N)(NC1=NC=NC(OCCOC2=NC=C(C=N2)Br)=C1C3=CC=C(C=C3)Br)=O
APRONAL
CAS:528-92-7
Formula: C9H16N2O2
34097
O=C(NC(C(C(C)C)CC=C)=O)N
APROTININ
CAS:9087-70-1
Formula: C284H432N84O79S7
14716
[H]N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N2CCC[C@H]2C(N3CCC[C@H]3C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(NCC(N4CCC[C@H]4C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](CC)C)([H])C(
APS-2-79 (HYDROCHLORIDE)
CAS:2002381-31-7
Formula: C23H21N3O3 • HCl
22137
COC1=C(OC)C=C(C(NC2=C(C)C=C(OC3=CC=CC=C3)C=C2)=NC=N4)C4=C1.Cl
APS6-45
CAS:2188236-41-9
Formula: C23H16F8N4O3
38417
O=C(NC1=CC(C(C(F)(F)F)(C(F)(F)F)F)=CC=C1F)NC2=CC=C(C=C2)OC3=CC=NC(C(NC)=O)=C3
APX-115
CAS:1270084-92-8
Formula: C17H17N3O
41110
OC1=C(CCC)C(C2=CC=CC=C2)=NN1C3=CC=CC=N3
APY-29
CAS:1216665-49-4
Formula: C17H16N8
22913
C1(NC2=NNC(C3CC3)=C2)=CC=NC(NC4=CC=C(N=CN5)C5=C4)=N1
APY0201
CAS:1232221-74-7
Formula: C23H23N7O
9.00159e+006
CC1=CC=CC(/C=N/NC2=NC3=CC(C4=CC=NC=C4)=NN3C(N5CCOCC5)=C2)=C1
AQC
CAS:148757-94-2
Formula: C14H11N3O4
30877
O=C(ON1C(CCC1=O)=O)NC2=CC3=C(C=C2)N=CC=C3
AQUASTATIN A
CAS:153821-50-2
Formula: C36H52O12
33253
CC(C=C1OC(C2=C(C=C(C=C2O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CCCCCCCCCCCCCCC)=O)=C(C(O)=C1)C(O)=O
AR-420626
CAS:1798310-55-0
Formula: C21H18Cl2N2O3
17531
ClC1=CC(NC(C2=C(C)NC(CCCC3=O)=C3C2C4=CC=CO4)=O)=C(Cl)C=C1
AR-7
CAS:80306-38-3
Formula: C15H12ClNO
22946
ClC1=CC=C2C(OCC(C3=CC=C(C)C=C3)=N2)=C1
AR-9281
CAS:913548-29-5
Formula: C18H29N3O2
38346
O=C(NC(CC1)CCN1C(C)=O)NC2(C[C@@H](C3)C4)C[C@@H]4C[C@@H]3C2
AR-C 155858
CAS:496791-37-8
Formula: C21H27N5O5S
14884
CN(C(C(C(C(N1OC[C@@H](O)C1)=O)=C(CC2=C(C)NN=C2C)S3)=C3N4CC(C)C)=O)C4=O
AR231453
CAS:733750-99-7
Formula: C21H24FN7O5S
34898
FC1=CC(S(=O)(C)=O)=CC=C1NC2=C([N+]([O-])=O)C(N3CCC(CC3)C4=NC(C(C)C)=NO4)=NC=N2
ARA 290 (ACETATE)
Formula: C51H84N16O21 • XC2H4O2
34943
OC([C@H](CO)NC([C@H](CO)NC([C@H](CC(N)=O)NC([C@H](CC(C)C)NC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H](CCC(O)=O)NC([C@H](CC(C)C)NC([C@H](CCC(N)=O)NC([C@H](CCC(O)=O)NC([C@@H]1CCC(N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.CC(O)=O
ARA-G
CAS:38819-10-2
Formula: C10H13N5O5
27984
O[C@H]1[C@H](O)[C@H](N2C=NC3=C2NC(N)=NC3=O)O[C@@H]1CO
ARACHIDIC ACID
CAS:506-30-9
Formula: C20H40O2
9.00034e+006
CCCCCCCCCCCCCCCCCCCC(=O)O
ARACHIDIC ACID (SODIUM SALT)
CAS:13257-34-6
Formula: C20H39O2 • Na
21906
CCCCCCCCCCCCCCCCCCCC([O-])=O.[Na+]
ARACHIDIC ACID METHYL ESTER
CAS:1120-28-1
Formula: C21H42O2
26724
CCCCCCCCCCCCCCCCCCCC(OC)=O
ARACHIDIC ACID-D2
CAS:232600-70-3
Formula: C20H38D2O2
28083
CCCCCCCCCCCCCCCCCCC([2H])([2H])C(O)=O
ARACHIDIC ACID-D3
CAS:202480-70-4
Formula: C20H37D3O2
27874
[2H]C([2H])([2H])CCCCCCCCCCCCCCCCCCC(O)=O
ARACHIDONIC ACID (SODIUM SALT)
CAS:6610-25-9
Formula: C20H31O2 • Na
1.00066e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC([O-])=O.[Na]
ARACHIDONOYL CHLORIDE
CAS:57303-04-5
Formula: C20H31ClO
18078
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(Cl)=O
ARACHIDONOYL ETHANOLAMIDE-D8
CAS:924894-98-4
Formula: C22H29D8NO2
390050
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
ARACHIDONYL ALCOHOL
CAS:13487-46-2
Formula: C20H34O
32539
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
ARACHIDOYL ETHANOLAMIDE
CAS:94421-69-9
Formula: C22H45NO2
1.00058e+007
CCCCCCCCCCCCCCCCCCCC(=O)NCCO
ARACHIDOYL GLYCINE
CAS:617703-96-5
Formula: C22H43NO3
9.00033e+006
CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
ARAGUSPONGIN B
CAS:123000-02-2
Formula: C28H50N2O2
1.00068e+007
C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@@H](CC1)O[C@H]45)O[C@H]23
ARALOSIDE A
CAS:7518-22-1
Formula: C47H74O18
30219
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC([C@]2([C@@]3([H])CC(C)(C)CC2)CC[C@]4(C)C3=CC[C@@]5([H])[C@@]4(C)CC[C@]6([H])[C@]5(C)CC[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@@H](C(O)=O)O7)C6(C)C)=O)O1
ARAMCHOL
CAS:246529-22-6
Formula: C44H79NO5
22478
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C
ARANCIAMYCIN A
CAS:960622-70-2
Formula: C26H28O10
31659
OC1=C(C(C2=C(O)C=CC=C2C3=O)=O)C3=CC(C[C@@](O)(C4)C)=C1[C@H]4O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)OC
ARANIDIPINE
CAS:86780-90-7
Formula: C19H20N2O7
40813
CC(COC(C1=C(C)NC(C)=C(C(OC)=O)C1C2=C([N+]([O-])=O)C=CC=C2)=O)=O
ARANOROSIN
CAS:117184-53-9
Formula: C23H33NO6
27478
O=C1[C@H]2[C@H](O2)[C@]3(O[C@@H](O)[C@@H](NC(/C=C/C(C)=C/[C@H](C)CCCCCC)=O)C3)[C@H]4[C@@H]1O4
ARBUTIN
CAS:497-76-7
Formula: C12H16O7
26407
OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
ARBUTIN-D4
Formula: C12H12D4O7
33289
OC[C@H]1O[C@@H](OC2=C([2H])C([2H])=C(O)C([2H])=C2[2H])[C@H](O)[C@@H](O)[C@@H]1O
ARC 239 (HYDROCHLORIDE)
CAS:55974-42-0
Formula: C24H29N3O3 • 2HCl
36218
O=C1C2=C(C(C)(C)C(N1CCN3CCN(CC3)C4=CC=CC=C4OC)=O)C=CC=C2.Cl.Cl
ARCAINE (SULFATE)
CAS:14923-17-2
Formula: C6H16N6 • H2SO4
33284
O=S(O)(O)=O.N=C(NCCCCNC(N)=N)N
ARCTIGENIN
CAS:7770-78-7
Formula: C21H24O6
14913
COC1=C(O)C=CC(C[C@H]([C@@H](CC2=CC(OC)=C(OC)C=C2)CO3)C3=O)=C1
ARCTIIN
CAS:20362-31-6
Formula: C27H34O11
15375
COC1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(C[C@H]([C@@H](CC3=CC(OC)=C(OC)C=C3)CO4)C4=O)=C1
ARCYRIAFLAVIN A
CAS:118458-54-1
Formula: C20H11N3O2
13516
O=C1NC(C2=C1C(C3=CC=CC=C3N4)=C4C5=C2C6=C(C=CC=C6)N5)=O
ARDISIACRISPIN A
CAS:23643-61-0
Formula: C52H84O22
34615
C[C@]12[C@]3(CC[C@@]4([H])[C@]2(CC[C@]5([H])[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO)C)C)[C@@]%10([H])[C@@]([C@@H](C1
Arecaidine but-2-ynyl ester (tosylate)
CAS:119630-77-2
Formula: C11H15NO2 • C7H8O3S
39816
O=C(C1=CCCN(C1)C)OCC#CC.O=S(O)(C2=CC=C(C)C=C2)=O
ARECAIDINE PROPARGYL ESTER (HYDROBROMIDE)
CAS:116511-28-5
Formula: C10H13NO2 • HBr
34568
O=C(C1=CCCN(C1)C)OCC#C.Br
ARENOBUFAGIN
CAS:464-74-4
Formula: C24H32O6
30695
O[C@H]1CC[C@@]2(C)[C@@](CC[C@]([C@]3(O)[C@@]4(C)[C@](C5=COC(C=C5)=O)([H])CC3)([H])[C@]2([H])[C@H](O)C4=O)([H])C1
Arg-Gly-Asp (trifluoroacetate salt)
CAS:120103-89-1
Formula: C12H22N6O6 • XCF3COOH
31369
N=C(N)NCCC[C@H](N)C(NCC(N[C@H](C(O)=O)CC(O)=O)=O)=O.OC(C(F)(F)F)=O
ARGATROBAN
CAS:74863-84-6
Formula: C23H36N6O5S
19639
CC1CC2=C(C(S(N[C@@H](CCCNC(N)=N)C(N3[C@@H](C(O)=O)C[C@H](C)CC3)=O)(=O)=O)=CC=C2)NC1
ARGATROBAN-D3 (HYDROCHLORIDE)
CAS:1356847-56-7
Formula: C23H33D3N6O5S • HCl
25757
O=S(C1=CC=CC2=C1NCC(C([2H])([2H])[2H])C2)(N[C@@H](CCCNC(N)=N)C(N3[C@@H](C(O)=O)C[C@H](C)CC3)=O)=O
ARGINASE INHIBITOR 1
CAS:1345808-25-4
Formula: C13H27BN2O4
28418
OB(O)CCCC[C@@](C(O)=O)(N)CCN1CCCCC1
ARGININE VASOTOCIN (TRIFLUOROACETATE SALT)
Formula: C43H67N15O12S2 • XCF3COOH
24768
NC(CNC([C@H](CCCNC(N)=N)NC([C@@H]1CCCN1C([C@@H](N2)CSSC[C@H](N[H])C(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C2=O)=O)=O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O)=O.FC(F)(C(O)=O)F
ARGIPRESSIN (ACETATE)
CAS:129979-57-3
Formula: C46H65N15O12S2 • XC2H4O2
24154
N[C@@H](CSSC[C@@H](C(N1CCC[C@H]1C(N[C@H](C(NCC(N)=O)=O)CCCNC(N)=N)=O)=O)NC([C@H](CC(N)=O)N2)=O)C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CCC(N)=O)C2=O)=O)=O)=O.CC(O)=O
ARGLABIN
CAS:84692-91-1
Formula: C15H18O3
19502
O=C(C1=C)O[C@@]2([H])[C@@]1([H])CC[C@@]3(C)[C@]4(O3)[C@]2([H])C(C)=CC4
ARIMOCLOMOL
CAS:289893-25-0
Formula: C14H20ClN3O3
37368
O[C@H](CN1CCCCC1)CON=C(C2=CN(=O)=CC=C2)Cl
ARIPIPRAZOLE N,N-DIOXIDE
CAS:573691-13-1
Formula: C23H27Cl2N3O4
35496
O=C1NC2=CC(OCCCC[N]3(CC[N](C4=C(Cl)C(Cl)=CC=C4)(CC3)=O)=O)=CC=C2CC1
ARIPIPRAZOLE N-OXIDE
CAS:573691-09-5
Formula: C23H27Cl2N3O3
35296
O=C1NC2=CC(OCCCC[N]3(CCN(CC3)C4=C(Cl)C(Cl)=CC=C4)=O)=CC=C2CC1
ARISTOLONE
CAS:25274-27-5
Formula: C15H22O
36157
C[C@@]12[C@@]3([H])[C@](C(C=C1CCC[C@H]2C)=O)([H])C3(C)C
ARJUNOLIC ACID
CAS:465-00-9
Formula: C30H48O5
29438
CC1(C)CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@](CO)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1
ARM1
CAS:68729-05-5
Formula: C16H16N2S
15865
NC(N1)=SC=C1C(C=C2)=CC=C2CC3=CC=CC=C3
ARN-509
CAS:956104-40-8
Formula: C21H15F4N5O2S
17132
S=C(N(C1=CC(F)=C(C(NC)=O)C=C1)C2(CCC2)C3=O)N3C4=CN=C(C#N)C(C(F)(F)F)=C4
ARN14686
CAS:1628345-10-7
Formula: C15H24N2O3
24261
O=C(N[C@H]1CNC1=O)OCCCCCCCCCC#C
ARN14974
CAS:1644158-57-5
Formula: C24H21FN2O3
17119
FC(C=C1)=CC=C1C2=CC=C3C(OC(N3C(NCCCCC4=CC=CC=C4)=O)=O)=C2
ARN14988
CAS:1502027-70-4
Formula: C16H24ClN3O5
24284
O=C(OCC(C)C)N(C(C(Cl)=CN1C(NCCCCCC)=O)=O)C1=O
ARN19874
CAS:2190502-57-7
Formula: C19H14N4O4S
24283
O=C(NC(N1)=O)C2=C1C=CC(S(NC3=CC=C(C4=CC=NC=C4)C=C3)(=O)=O)=C2
ARN24139
CAS:2699768-78-8
Formula: C24H16F3N3O4S
31062
O=C(C1C(N(C(N(C2=CC=CC=C2)C1=O)=S)C3=CC=CC=C3)=O)NC4=CC(OC(F)(F)F)=CC=C4
ARN25062
CAS:3036492-85-7
Formula: C22H21F3N4
39615
FC(F)(F)C1=CC=CC(NC2=CC(C3=CC=CC=C3)=NC(C4CCNCC4)=N2)=C1
ARN3236
CAS:1613710-01-2
Formula: C19H16N2O2S
31457
COC1=CC(OC)=C(C=C1)C2=CNC3=C2C(C4=CSC=C4)=CC=N3
ARN726
CAS:1628343-77-0
Formula: C14H24N2O3
24259
O=C(N[C@H]1CNC1=O)OCCCCC2CCCCC2
ARN810
CAS:1365888-06-7
Formula: C26H20ClFN2O2
29595
ClC1=C(/C(CC)=C(C2=CC=C(/C=C/C(O)=O)C=C2)/C3=CC(C=NN4)=C4C=C3)C=CC(F)=C1
ARNICOLIDE D
CAS:34532-68-8
Formula: C19H24O5
36193
CC(C(O[C@H]1[C@@]2([H])[C@@](OC([C@H]2C)=O)([H])C[C@H]([C@@]3([H])[C@]1(C(C=C3)=O)C)C)=O)=C
AROMADENDRENE
CAS:489-39-4
Formula: C15H24
33829
CC1([C@@]2([H])[C@@]3([H])[C@](CC[C@H]3C)([H])C(CC[C@]21[H])=C)C
AROMADENDRIN
CAS:480-20-6
Formula: C15H12O6
33402
OC1=C2C(O[C@H]([C@@H](C2=O)O)C3=CC=C(O)C=C3)=CC(O)=C1
ARP 100
CAS:704888-90-4
Formula: C17H20N2O5S
13321
ONC(=O)CN(OC(C)C)S(=O)(=O)c1ccc(cc1)c1ccccc1
ARPHAMENINE B (HEMISULFATE)
CAS:144110-38-3
Formula: C16H24N4O4 • 1/2H2SO4
18506
O=C([C@@H](N)CCCNC(N)=N)C[C@H](C(O)=O)CC1=CC=C(O)C=C1.OS(O)(=O)=O
ARQ 092
CAS:1313881-70-7
Formula: C27H24N6
21388
NC1=NC=CC=C1C2=NC(C=C3)=C(N2C4=CC=C(C5(N)CCC5)C=C4)N=C3C6=CC=CC=C6
ARQ 531
CAS:2095393-15-8
Formula: C25H23ClN4O4
30165
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1Cl)C3=CNC4=C3C(N[C@H]5CO[C@H](CO)CC5)=NC=N4
ARQ 621
CAS:1095253-39-6
Formula: C28H24Cl2FN5O2
34329
O=C(C1=C(C(Cl)=CC=C1)F)N(CCCN)[C@@H](C(N2NC3=CC=CC=C3)=NC4=CC(Cl)=CC=C4C2=O)CC#C
ARRY-380 ANALOG
CAS:937265-83-3
Formula: C29H27N7O4S
24186
CC1=C(OC2=CC3=NC=NN3C=C2)C=CC(NC4=C(C=C(C5=CC=C(CNCCS(C)(=O)=O)O5)C=C6)C6=NC=N4)=C1
ARRY-382
CAS:1313407-95-2
Formula: C32H36N8O2
38796
O=C(C1=CN=C2C=C(C=CN21)OCCN3CCN(CC3)C)NC4=CC=CC5=C4C(C6CC6)=NN5CC7=CC=CC(C)=N7
ARRY-520
CAS:885060-09-3
Formula: C20H22F2N4O2S
21883
O=C(N(C)OC)N1[C@@](C2=CC=CC=C2)(CCCN)SC(C3=C(F)C=CC(F)=C3)=N1.OC(C(F)(F)F)=O
ARS1620
CAS:1698055-85-4
Formula: C21H17ClF2N4O2
27915
FC1=CC=CC(O)=C1C2=C(Cl)C=C(C(N3CCN(C(C=C)=O)CC3)=NC=N4)C4=C2F
ARS853
CAS:1629268-00-3
Formula: C22H29ClN4O3
19137
CC1(CC1)C2=C(Cl)C=C(O)C(NCC(N3CCN(C4CN(C(C=C)=O)C4)CC3)=O)=C2
ARTEANNUIN B
CAS:50906-56-4
Formula: C15H20O3
33852
C[C@]12[C@](O2)([H])[C@@]34[C@](CC[C@H]([C@]4([H])CC1)C)([H])C(C(O3)=O)=C
ARTEETHER
CAS:75887-54-6
Formula: C17H28O5
11814
CCO[C@H]1O[C@@]2([H])[C@]3(OO4)[C@](CC[C@@H](C)[C@]3([H])CC[C@]4(C)O2)([H])[C@H]1C
ARTEFENOMEL
CAS:1029939-86-3
Formula: C28H39NO5
30677
[H][C@]1(C[C@@H]2C[C@@]3([H])C[C@H](C1)C2)C3(OO4)O[C@@]54CC[C@H](C6=CC=C(OCCN7CCOCC7)C=C6)CC5
ARTEMETHER
CAS:71963-77-4
Formula: C16H26O5
11815
CO[C@H]1O[C@@]2([H])[C@]3(OO4)[C@](CC[C@@H](C)[C@]3([H])CC[C@]4(C)O2)([H])[C@H]1C
ARTEMETHER-D3
CAS:93787-85-0
Formula: C16H23D3O5
28517
[H][C@]12[C@@H](C)[C@@H](OC([2H])([2H])[2H])O[C@@]3([H])[C@@]1(OO4)[C@](CC[C@]4(C)O3)([H])[C@H](C)CC2
ARTEMISINIC ACID
CAS:80286-58-4
Formula: C15H22O2
25059
CC1=C[C@@]2([H])[C@](CC1)([H])[C@H](C)CC[C@H]2C(C(O)=O)=C
ARTEMISININ
CAS:63968-64-9
Formula: C15H22O5
11816
[H][C@]12[C@@H](C)C(O[C@@]3([H])[C@@]1(OO4)[C@](CC[C@]4(C)O3)([H])[C@H](C)CC2)=O
ARTEMISININ-D3
CAS:176652-07-6
Formula: C15H19D3O5
25359
[H][C@]12[C@@H](C([2H])([2H])[2H])C(O[C@@]3([H])[C@@]1(OO4)[C@](CC[C@]4(C)O3)([H])[C@H](C)CC2)=O
ARTEMITIN
CAS:479-90-3
Formula: C20H20O8
40269
O=C1C(OC)=C(C2=CC=C(OC)C(OC)=C2)OC3=C1C(O)=C(OC)C(OC)=C3
ARTEPILLIN C
CAS:72944-19-5
Formula: C19H24O3
35666
C/C(C)=C/CC(C=C1/C=C/C(O)=O)=C(C(C/C=C(C)/C)=C1)O
ARTEROLANE
CAS:664338-39-0
Formula: C22H36N2O4
30676
O=C(C[C@H]1CC[C@]2(OC3([C@@]4([H])C[C@H]5C[C@]3([H])C[C@@H](C4)C5)OO2)CC1)NCC(C)(C)N
ARTESUNATE
CAS:88495-63-0
Formula: C19H28O8
11817
[H][C@]12[C@@H](C)[C@H](OC(CCC(O)=O)=O)O[C@@]3([H])[C@@]1(OO4)[C@](CC[C@]4(C)O3)([H])[C@H](C)CC2
ARTESUNATE-D4
CAS:1316753-15-7
Formula: C19H24D4O8
28769
[H][C@]12[C@@H](C)[C@H](OC(C([2H])([2H])C([2H])([2H])C(O)=O)=O)O[C@@]3([H])[C@@]1(OO4)[C@](CC[C@]4(C)O3)([H])[C@H](C)CC2
ARTICAINE (HYDROCHLORIDE)
CAS:23964-57-0
Formula: C13H20N2O3S • HCl
17883
CC1=CSC(C(OC)=O)=C1NC(C(C)NCCC)=O.Cl
ARUK3001185
CAS:2411969-39-4
Formula: C9H4Cl2F3N3
37113
FC(F)(C1=C(Cl)C(N2C=CN=N2)=CC=C1Cl)F
ARUNDIC ACID
CAS:185517-21-9
Formula: C11H22O2
29087
CCCCCC[C@H](C(O)=O)CCC
ARV-110
CAS:2222112-77-6
Formula: C41H43ClFN9O6
39662
O=C1C2=CC(N3CCN(CC3)CC4CCN(C5=CC=C(C(N[C@@H]6CC[C@H](CC6)OC7=CC(Cl)=C(C=C7)C#N)=O)N=N5)CC4)=C(F)C=C2C(N1C8CCC(NC8=O)=O)=O
ARV-771
CAS:1949837-12-0
Formula: C49H60ClN9O7S2
21299
CC1=NN=C2[C@H](CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=O)N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N21
ARV-825
CAS:1818885-28-7
Formula: C46H47ClN8O9S
21109
CC1=NN=C2[C@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)C=C3)=O)N=C(C7=CC=C(Cl)C=C7)C8=C(SC(C)=C8C)N21
Arylpiperazine 5k
CAS:1431945-95-7
Formula: C18H22FN5OS
38135
FC1=CC=C(N=C1)N2CCN(CC(NC3=NC(CCCC4)=C4S3)=O)CC2
ARYLQUIN 1
CAS:1630743-73-5
Formula: C17H16FN3
16961
CN(C)C1=CC=C2C(N=C(N)C(C3=CC=CC=C3F)=C2)=C1
AS-041164
CAS:6318-41-8
Formula: C11H7NO4S
13622
O=C(/C(S1)=C/C2=CC=C3C(OCO3)=C2)NC1=O
AS-101
CAS:106566-58-9
Formula: C2H4Cl3O2Te • NH4
21443
[Cl-][Te+4]1([Cl-])([O]CC[O]1)[Cl-].[NH4+]
AS-1842856
CAS:836620-48-5
Formula: C18H22FN3O3
16761
O=C1C(C(O)=O)=CN(CC)C2=C1C(N)=C(F)C(NC3CCCCC3)=C2
AS-1892802
CAS:928320-12-1
Formula: C20H19N3O2
14978
O=C(N[C@H](CO)C1=CC=CC=C1)NC(C=C2)=CC=C2C3=CC=NC=C3
AS-1949490
CAS:1203680-76-5
Formula: C20H18ClNO2S
17627
O=C(C(SC=C1)=C1OCC2=CC=C(Cl)C=C2)N[C@@H](C)C3=CC=CC=C3
AS-2077715
CAS:1637356-98-9
Formula: C25H41NO7
29775
CCC(C)CC(C)CCC1OC(C2=C(O)C(C3C(O)C(O)C(O)C3O)=CN(C)C2=O)CCC1
AS-2444697 (HYDROCHLORIDE)
CAS:1287665-60-4
Formula: C19H20N6O4 • HCl
29505
O=C(N)C1=NN(C2CCOCC2)C=C1NC(C3=COC(C4=CC=NC(C)=C4)=N3)=O.Cl
AS-252424
CAS:900515-16-4
Formula: C14H8FNO4S
1.00091e+007
O=C(N([H])C(S/1)=O)C1=C\C2=CC=C(C3=C(O)C=C(F)C=C3)O2
AS-2717638
CAS:2148339-28-8
Formula: C25H25N3O5
37787
O=C1C2=C(C(C(N3CCCCC3)=O)=CN1C4=NOC5=C4C=C(C)C=C5)C=C(OC)C(OC)=C2
AS-2863619
CAS:2241300-51-4
Formula: C16H12N8O • 2HCl
30976
NC1=NON=C1C2=NC(C=NC=C3)=C3N2C4=CC=C(N=C(C)N5)C5=C4.Cl.Cl
AS-604850
CAS:648449-76-7
Formula: C11H5F2NO4S
1.00102e+007
O=C1NC(=O)/C(=C\c2ccc3OC(F)(F)Oc3c2)\S1
AS-605240
CAS:648450-29-7
Formula: C12H7N3O2S
1.00077e+007
O=C1NC(=O)/C(=C\c2ccc3nccnc3c2)\S1
AS-605240 (POTASSIUM SALT)
Formula: C12H6N3O2S • K
9.00098e+006
O=C(S/1)[N-]C(C1=C\C2=CC3=C(C=C2)N=CC=N3)=O.[K+]
AS-703026
CAS:1236699-92-5
Formula: C15H15FIN3O3
11226
O=C(NC[C@H](O)CO)C1=CC=NC=C1NC2=C(F)C=C(I)C=C2
AS-8351
CAS:796-42-9
Formula: C17H13N3O2
20811
O=C(N/N=C/C1=C(O)C=CC2=C1C=CC=C2)C3=CC=NC=C3
AS1517499
CAS:919486-40-1
Formula: C20H20ClN5O2
29071
OC1=C(Cl)C=C(CCNC2=NC(NCC3=CC=CC=C3)=C(C(N)=O)C=N2)C=C1
ASAPIPRANT
CAS:932372-01-5
Formula: C24H27N3O7S
30008
OC(COC1=CC(N2CCN(S(C3=CC=C(OC(C)C)C=C3)(=O)=O)CC2)=CC=C1C4=NC=CO4)=O
ASARALDEHYDE
CAS:4460-86-0
Formula: C10H12O4
36798
O=CC1=CC(OC)=C(C=C1OC)OC
ASARININ
CAS:133-04-0
Formula: C20H18O6
27456
[H][C@]1([C@@H](C2=CC(OCO3)=C3C=C2)OC4)[C@]4([H])[C@H](C5=CC(OCO6)=C6C=C5)OC1
ASCIMINIB
CAS:1492952-76-7
Formula: C20H18ClF2N5O3
26126
O=C(NC1=CC=C(OC(F)(F)Cl)C=C1)C2=CN=C(N3C[C@H](O)CC3)C(C4=NNC=C4)=C2
ASCOCHIN
CAS:935699-58-4
Formula: C12H10O5
31450
O=CC1=C2C(C(OC([C@H]2C)=C)=O)=C(C=C1O)O
ASCOCHLORIN
CAS:26166-39-2
Formula: C23H29ClO4
19437
OC1=C(Cl)C(C)=C(C([H])=O)C(O)=C1C/C=C(C)/C=C/[C@]2(C)[C@@H](C)C(CC[C@H]2C)=O
ASCOMYCIN
CAS:104987-12-4
Formula: C43H69NO12
11309
O=C(C(N1[C@H](C(O[C@@H]([C@@H]([C@@H](O)CC([C@H](CC)/C=C(C[C@H](C)C[C@@H]2OC)\C)=O)C)/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)=O)CCCC1)=O)[C@]4(O)O[C@H]2[C@@H](OC)C[C@H]4C
ASCORBYL PALMITATE
CAS:137-66-6
Formula: C22H38O7
29604
CCCCCCCCCCCCCCCC(OC[C@H](O)[C@@]1([H])OC(C(O)=C1O)=O)=O
ASCORBYL TETRAISOPALMITATE
CAS:183476-82-6
Formula: C70H128O10
36275
CCCCCCC(CCCCCCCC)C(OC[C@H](OC(C(CCCCCCCC)CCCCCC)=O)[C@@]1([H])OC(C(OC(C(CCCCCCCC)CCCCCC)=O)=C1OC(C(CCCCCC)CCCCCCCC)=O)=O)=O
ASELACIN C
CAS:156223-08-4
Formula: C46H66N8O11
33163
O=C1O[C@@H]([C@@H](C(NCCC(N[C@H](CC2=CNC3=C2C=CC=C3)C(N[C@H](CO)C(NC1)=O)=O)=O)=O)NC([C@@H](CCC(N)=O)NC(CCCCCCCC(C=CC=CCCCCC)=O)=O)=O)C
Asialo Ganglioside GM1
CAS:71012-19-6
Formula: C62H114N2O23 (for stearoyl)
15586
[H][C@](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)CO)O)O)CO)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])NC(CCCCCCCCCCCCCCCCC)=O
Asialo Ganglioside GM2
CAS:35960-33-9
Formula: C56H104N2O18 (for stearoyl)
24629
[R]C(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@H](O[C@@]3([H])[C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@H](O)[C@H]2O)[C@@H](CO)O1)=O
ASIATIC ACID
CAS:464-92-6
Formula: C30H48O5
11818
OC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C(O)=O)[C@@]4([H])[C@@H](C)[C@H](C)CC5
ASIATICOSIDE
CAS:16830-15-2
Formula: C48H78O19
11819
OC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C(O[C@@H]6O[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@]8([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@H]6O)=O)[C@@]4([H])[C@@H](C)[C@H](C)
ASIATICOSIDE B
CAS:125265-68-1
Formula: C48H78O20
33427
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]3O)O)O)O[C@H]3OC([C@]45[C@](CC(C)(CC5)C)([H])C6=CC[C@@]([C@@]7([C@@]([C@@](C)([C@H]([C@@H](C7)O)O)CO)([H])[C@@H](C8)O)C)([H])[C@]8(C)[C@@]6(CC4)C)
ASIMADOLINE
CAS:153205-46-0
Formula: C27H30N2O2
26411
O=C(N([C@H](CN1C[C@@H](O)CC1)C2=CC=CC=C2)C)C(C3=CC=CC=C3)C4=CC=CC=C4
ASK1 INHIBITOR 10
CAS:1005775-56-3
Formula: C21H21N5O • 2HCl
28512
O=C(C1=CC=C(C(C)(C)C)C=C1)NC2=CN3C=C(N4C=CN=C4)C=CC3=N2.Cl.Cl
ASLAN003
CAS:1035688-66-4
Formula: C19H14F2N2O3
33516
O=C(C1=CC=CN=C1NC2=C(F)C=C(C3=CC=CC(OC)=C3)C=C2F)O
ASOPRISNIL
CAS:199396-76-4
Formula: C28H35NO4
35170
C[C@@]12[C@](CC[C@@]2(OC)COC)([H])[C@@]3([H])C([C@](C4=CC=C(C=C4)/C=N/O)([H])C1)=C5C(CC3)=CC(CC5)=O
ASOXIME (CHLORIDE)
CAS:34433-31-3
Formula: C14H16N4O3 • 2Cl
18607
O/N=C\C1=CC=CC=[N+]1COC[N+]2=CC=C(C(N)=O)C=C2.[Cl-].[Cl-]
ASP2905
CAS:792184-90-8
Formula: C20H17FN8
40780
FC1=CC=C(NC2=NC(NCC3=NC=CC=N3)=NC(NC4=CC=CC=C4)=N2)C=C1
ASP3026
CAS:1097917-15-1
Formula: C29H40N8O3S
18491
CN1CCN(C2CCN(C3=CC=C(NC4=NC(NC5=C(S(C(C)C)(=O)=O)C=CC=C5)=NC=N4)C(OC)=C3)CC2)CC1
ASP7657
CAS:1196045-28-9
Formula: C28H26F3N3O3
28578
OC([C@H]1CC[C@H](CNC(C2=C(N(CC3=NC(C=CC=C4)=C4C=C3)C=C5)C5=CC(C(F)(F)F)=C2)=O)CC1)=O
ASP7663
CAS:1190217-35-6
Formula: C14H14FNO3
31122
FC1=C2C(/C(C(N2CC(C)C)=O)=C\C(O)=O)=CC=C1
ASP9521
CAS:1126084-37-4
Formula: C19H26N2O3
27308
CC(C)(O)CC1CCN(C(C2=CC3=C(C=CC(OC)=C3)N2)=O)CC1
ASPALATONE
CAS:147249-33-0
Formula: C15H12O6
13644
O=C1C(OC(C2=C(OC(C)=O)C=CC=C2)=O)=C(C)OC=C1
ASPARTAME
CAS:22839-47-0
Formula: C14H18N2O5
26089
O=C(OC)[C@@H](NC([C@H](CC(O)=O)N)=O)CC1=CC=CC=C1
ASPARTOCIN D
CAS:1211953-97-7
Formula: C57H89N13O20
23143
O=C([C@H]([C@H](NC([C@@](CCC1)([H])N1C([C@@H](NC([C@@](NC2=O)([H])[C@H](N)C)=O)C(C)C)=O)=O)C)NC([C@H](CC(O)=O)NC(C/C=C\CCCCCC(C)C)=O)=O)N(CCCC3)[C@@]3([H])C(N[C@@](C(N[C@H](C(NCC(N[C@H](C(NC2)=O)CC(O)=O)=O)=O)CC(O)=O)=O)([H])[C@H](C)C(O)=O)=O
ASPARTYL-ALANYL-DIKETOPIPERAZINE
CAS:110954-19-3
Formula: C7H10N2O4
37715
OC(C[C@H]1C(N[C@H](C(N1)=O)C)=O)=O
ASPERCOLORIN
CAS:29123-52-2
Formula: C25H28N4O5
23144
O=C(NC(CC1=CC=CC=C1)C(NCCC(N2C3CCC2)=O)=O)C4=C(C=CC(OC)=C4)NC3=O
ASPERFURAN
CAS:129277-10-7
Formula: C13H14O3
29989
OC1=CC(O)=C2C(C[C@H](/C=C/C=C/C)O2)=C1
ASPERGILLIMIDE
CAS:195966-93-9
Formula: C20H29N3O3
27738
O=C(C1)N(C)C([C@@]21C(C)(C)[C@]3([H])CC45N(CC[C@@H]4C)C[C@]3(N(C)C5=O)C2)=O
ASPERGILLIN PZ
CAS:483305-08-4
Formula: C24H35NO4
27722
CC1=C[C@@]([C@]2([H])[C@@](C3)([H])[C@@]4([H])[C@H](O)CC[C@@]2(O4)C)([H])[C@@]([C@@]5([H])[C@@H]1C)(C(N[C@H]5CC(C)C)=O)C3=O
ASPERGLAUCIDE
CAS:56121-42-7
Formula: C27H28N2O4
28499
O=C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC2=CC=CC=C2)COC(C)=O)=O)C3=CC=CC=C3
ASPERLACTONE
CAS:76375-62-7
Formula: C9H12O4
14435
O=C1C([C@@H]2O[C@H]2C)=C[C@@]([C@H](C)O)([H])O1
ASPEROSAPONIN VI
CAS:39524-08-8
Formula: C47H76O18
33206
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]2O)O)O)O[C@H]2OC([C@]34[C@](CC(C)(CC4)C)([H])C5=CC[C@@]([C@@]6([C@@]([C@@](C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)CO)([H])CC8)C)([H])[C@]8(C)[C@@]5(CC3)C)=O
ASPERPHENAMATE
CAS:63631-36-7
Formula: C32H30N2O4
25086
O=C(N[C@@H](CC1=CC=CC=C1)COC([C@H](CC2=CC=CC=C2)NC(C3=CC=CC=C3)=O)=O)C4=CC=CC=C4
ASPERULOSIDE
CAS:14259-45-1
Formula: C18H22O11
29439
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@](C(COC(C)=O)=C[C@]3([H])OC4=O)([H])[C@@]3([H])C4=CO2)O1
ASPINOLIDE B
CAS:188605-15-4
Formula: C14H20O6
40873
O[C@H](/C=C/[C@@H]([C@H]1C)OC(/C=C/C)=O)[C@H](CCC(O1)=O)O
ASPIRIN
CAS:50-78-2
Formula: C9H8O4
32999
CC(OC1=CC=CC=C1C(O)=O)=O
ASPIRIN
CAS:50-78-2
Formula: C9H8O4
70260
CC(=O)Oc1ccccc1C(=O)O
ASPIRIN-D4
CAS:97781-16-3
Formula: C9H4D4O4
18243
OC(C1=C(OC(C)=O)C([2H])=C([2H])C([2H])=C1[2H])=O
ASPOCHALASIN D
CAS:71968-02-0
Formula: C24H35NO4
23864
C/C1=C\[C@]2([H])[C@@]3(C(/C=C/[C@H](O)[C@H](O)CC1)=O)[C@@]([C@H](CC(C)C)NC3=O)([H])[C@H](C)C(C)=C2
ASPOCHALASIN M
CAS:1173040-34-0
Formula: C24H35NO4
25087
C/C1=C\[C@]2([H])[C@@]3(C(CC[C@H](O)C(CC1)=O)=O)[C@@]([C@H](CC(C)C)NC3=O)([H])[C@H](C)C(C)=C2
ASPTERRIC ACID
CAS:67309-95-9
Formula: C15H22O4
25919
OC([C@]1(O)[C@@H](C2)OC[C@]2(CC/C3=C(C)/C)[C@@]3([H])CC1)=O
ASPULVINONE O
CAS:914071-54-8
Formula: C27H28O6
29959
OC1=C(C(C(O/2)=O)=C(O)C2=C\C3=CC=C(O)C(C/C=C(C)\C)=C3)C=C(C/C=C(C)/C)C(O)=C1
ASPYRONE
CAS:17398-00-4
Formula: C9H12O4
31389
C[C@H]([C@H](C=C1[C@H]2[C@H](C)O2)O)OC1=O
AST-1306 (TOSYLATE)
CAS:1050500-29-2
Formula: C24H18ClFN4O2 • C7H8O3S
29708
O=C(C=C)NC(C=C1)=CC2=C1N=CN=C2NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3.CC5=CC=C(S(O)(=O)=O)C=C5
AST-487
CAS:630124-46-8
Formula: C26H30F3N7O2
19477
CNC1=CC(OC2=CC=C(NC(NC3=CC=C(CN4CCN(CC)CC4)C(C(F)(F)F)=C3)=O)C=C2)=NC=N1
ASTEMIZOLE
CAS:68844-77-9
Formula: C28H31FN4O
16967
COC1=CC=C(CCN2CCC(NC3=NC4=C(C=CC=C4)N3CC5=CC=C(F)C=C5)CC2)C=C1
ASTERRIC ACID
CAS:577-64-0
Formula: C17H16O8
70630
CC1=CC(O)=C(C(O)=O)C(OC2=C(OC)C=C(O)C=C2C(OC)=O)=C1
ASTERRIQUINOL D DIMETHYL ETHER
CAS:287117-66-2
Formula: C26H24N2O4
25080
COC1=C(C2=CNC3=C2C=CC=C3)C(OC)=C(OC)C(C4=CNC5=C4C=CC=C5)=C1OC
ASTILBIN
CAS:29838-67-3
Formula: C21H22O11
28267
OC1=CC(O)=C(C([C@H](O[C@@]2([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](C3=CC=C(O)C(O)=C3)O4)=O)C4=C1
ASTRAGALOSIDE A
CAS:83207-58-3
Formula: C41H68O14
16677
O[C@H]1[C@H](O)[C@@H](CO)O[C@](O[C@H]2C[C@]([C@@](C[C@H](O)[C@]3([H])[C@@]4(C)O[C@@H](C(C)(O)C)CC4)(C)[C@]3(C)CC5)([H])[C@]56[C@]7(C6)[C@]2([H])C(C)(C)[C@@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)CC7)([H])[C@@H]1O
ASTRAGALOSIDE I
CAS:84680-75-1
Formula: C45H72O16
22431
O[C@H]1[C@H](O)[C@@H](CO)O[C@](O[C@H]2C[C@]([C@@](C[C@H](O)[C@]3([H])[C@]4(C)O[C@H](C(C)(O)C)CC4)(C)[C@]3(C)CC5)([H])[C@]56[C@]7(C6)[C@]2([H])C(C)(C)[C@@H](O[C@]8([H])OC[C@@H](O)[C@H](OC(C)=O)[C@H]8OC(C)=O)CC7)([H])[C@@H]1O
ASTRAGALOSIDE II
CAS:84676-89-1
Formula: C43H70O15
40139
C[C@]12[C@@]3([H])[C@@]4(CC[C@@]1([C@]([C@]5(C)O[C@H](C(C)(O)C)CC5)([H])[C@H](C2)O)C)[C@@]6([C@@](C(C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC(C)=O)C)([H])[C@H](C3)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)C4
ASTRAGALOSIDE III
CAS:84687-42-3
Formula: C41H68O14
22432
O[C@H]1C[C@]([C@@](C[C@H](O)[C@]2([H])[C@]3(C)O[C@H](C(C)(O)C)CC3)(C)[C@]2(C)CC4)([H])[C@]45[C@]6(C5)[C@]1([H])C(C)(C)[C@@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O[C@@]8([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)CC6
ASTRAGALOSIDE IV
CAS:84687-43-4
Formula: C41H68O14
12069
O[C@H]1C[C@@]([C@]([C@@]1([H])[C@@]2(O[C@H](C(C)(O)C)CC2)C)(C)CC3)(C)[C@@](C[C@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]5([H])C6(C)C)([H])[C@@]73[C@]5(CC[C@@H]6O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C7
ASTRINGIN
CAS:29884-49-9
Formula: C20H22O9
27979
OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C1
ASTX029
CAS:2095719-92-7
Formula: C29H31ClFN5O5
33557
O=C1C2=CC(C3=NC(NC4CCOCC4)=NC=C3Cl)=CC=C2CN1[C@H](C)C(N[C@@H](C5=CC(OC)=CC(F)=C5)CO)=O
ASTX660
CAS:1799328-86-1
Formula: C30H42FN5O3
36619
C[C@H](COCC1)N1C[C@@H](CN[C@@H](C2)C)N2CC(N3C4=CC(CC5=CC=C(C=C5)F)=C(CO)N=C4C(C)(C3)C)=O
ASUKAMYCIN
CAS:61116-33-4
Formula: C31H34N2O7
20133
O=C1[C@@H]2[C@@H](O2)[C@@](/C=C/C=C/C=C/C(NC3=C(O)CCC3=O)=O)(O)C=C1NC(/C=C/C=C/C=C/C4CCCCC4)=O
ASULAM
CAS:3337-71-1
Formula: C8H10N2O4S
37902
O=C(NS(=O)(C1=CC=C(C=C1)N)=O)OC
ASUNAPREVIR
CAS:630420-16-5
Formula: C35H46ClN5O9S
20835
O=C(N[C@@]1(C(NS(C2CC2)(=O)=O)=O)[C@H](C=C)C1)[C@H]3N(C([C@H](C(C)(C)C)NC(OC(C)(C)C)=O)=O)C[C@@H](OC4=C(C=C(Cl)C=C5)C5=C(OC)C=N4)C3
ASZONALENIN
CAS:81797-27-5
Formula: C23H23N3O2
25018
O=C(C1=CC=CC=C1N2)N3[C@@](C[C@@]4(C(C)(C)C=C)[C@]3([H])NC5=C4C=CC=C5)([H])C2=O
ASZONAPYRONE A
CAS:83103-08-6
Formula: C28H40O5
29940
CC(O[C@H]1CC[C@@]2(C)[C@](CC[C@]([C@@H]3CC4=C(O)C=C(C)OC4=O)(C)[C@]2([H])CCC3=C)([H])C1(C)C)=O
AT-001
CAS:1355612-71-3
Formula: C17H10F3N5O3S
36105
O=C(CC1=NN(CC2=NC3=C(S2)C=CC(C(F)(F)F)=C3)C(C4=NC=CN=C41)=O)O
AT-1
CAS:2098836-45-2
Formula: C48H58ClN9O5S3
33265
CC1=C(C)SC2=C1C(C3=CC=C(C=C3)Cl)=N[C@@H](CC(NCCCCCCSC(C)(C)[C@H](NC(C)=O)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)C7=NN=C(C)N27
AT-130
CAS:211364-06-6
Formula: C22H22BrN3O5
35453
Br/C(C1=C(C=CC=C1)OC)=C(NC(C2=CC=C(C=C2)[N+]([O-])=O)=O)\C(N3CCCCC3)=O
AT-13148
CAS:1056901-62-2
Formula: C17H16ClN3O
21597
ClC1=CC=C([C@@](CN)(O)C2=CC=C(C3=CNN=C3)C=C2)C=C1
AT-406
CAS:1071992-99-8
Formula: C32H43N5O4
19929
O=C(NC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3N4C([C@@H](NC([C@@H](NC)C)=O)CN(C(CC(C)C)=O)CC[C@@]4([H])CC3)=O
AT-511
CAS:1998705-64-8
Formula: C24H33FN7O7P
33869
CC(C)OC([C@H](C)N[P@](OC[C@@H]1[C@@H](O)[C@](F)(C)[C@]([H])(N2C=NC3=C(NC)N=C(N)N=C32)O1)(OC4=CC=CC=C4)=O)=O
AT-511 (hemisulfate)
CAS:2241337-84-6
Formula: C24H33FN7O7P • 1/2H2SO4
33870
O=S(O)(O)=O.CC(C)OC([C@H](C)N[P@](OC[C@@H]1[C@@H](O)[C@](F)(C)[C@]([H])(N2C=NC3=C(NC)N=C(N)N=C32)O1)(OC4=CC=CC=C4)=O)=O
AT-56
CAS:162640-98-4
Formula: C25H27N5
13160
C12=C(C=CC=C2)C=CC3=C(C=CC=C3)/C1=C4CCN(CCCCC5=NN=NN5)CC\4
AT-9283
CAS:896466-04-9
Formula: C19H23N7O2
11496
O=C(NC1CC1)NC2=CNN=C2C3=NC4=C(N3)C=CC(CN5CCOCC5)=C4
AT2 AGONIST C21
CAS:477775-14-7
Formula: C23H29N3O4S2
33758
CC(C)CC1=CC(C2=CC=C(CN3C=NC=C3)C=C2)=C(S(NC(OCCCC)=O)(=O)=O)S1
AT7519 (HYDROCHLORIDE)
CAS:902135-91-5
Formula: C16H17Cl2N5O2 • HCl
16231
O=C(NC1CCNCC1)C2=NNC=C2NC(C3=C(Cl)C=CC=C3Cl)=O.Cl
AT7867
CAS:857531-00-1
Formula: C20H20ClN3
16848
ClC1=CC=C(C=C1)C2(CCNCC2)C3=CC=C(C4=CNN=C4)C=C3
ATACIGUAT
CAS:254877-67-3
Formula: C21H19Cl2N3O6S3
16371
O=S(N1CCOCC1)(C2=CC=C(NC(C3=CC(Cl)=CC=C3NS(C4=CC=C(Cl)S4)(=O)=O)=O)C=C2)=O
ATAZANAVIR
CAS:198904-31-3
Formula: C38H52N6O7
11733
COC(N[C@@H](C(C)(C)C)C(N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C3=NC=CC=C3)C=C2)NC([C@@H](NC(OC)=O)C(C)(C)C)=O)=O)=O
ATAZANAVIR-D6
CAS:1092540-50-5
Formula: C38H46D6N6O7
26456
O=C(N[C@@H](C(C)(C)C)C(N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C3=NC=CC=C3)C=C2)NC([C@@H](NC(OC([2H])([2H])[2H])=O)C(C)(C)C)=O)=O)OC([2H])([2H])[2H]
ATB-337
CAS:912758-00-0
Formula: C23H15NCl2O2S3
10277
O=C(Oc1ccc(cc1)c1ssc(=S)c1)Cc1ccccc1Nc1c(Cl)cccc1Cl
ATB-343
CAS:1000700-26-4
Formula: C28H20ClNO4S3
13045
COc1ccc2c(c1)c(CC(=O)Oc1ccc(cc1)c1ssc(=S)c1)c(C)n2C(=O)c1ccc(Cl)cc1
ATB-346
CAS:1226895-20-0
Formula: C21H19NO3S
16234
COC1=CC=C2C(C=CC(C(C)C(OC3=CC=C(C(N)=S)C=C3)=O)=C2)=C1
ATENOLOL
CAS:29122-68-7
Formula: C14H22N2O3
26284
NC(CC1=CC=C(OCC(O)CNC(C)C)C=C1)=O
ATGLISTATIN
CAS:1469924-27-3
Formula: C17H21N3O
15284
CN(C)C1=CC=C(C2=CC(NC(N(C)C)=O)=CC=C2)C=C1
ATHPINACA ISOMER 1
CAS:1400742-48-4
Formula: C24H31N3O2
18365
O=C(NC1(C2)C[C@H]3C[C@H](C[C@@H]2C3)C1)C4=NN(CC5CCOCC5)C6=C4C=CC=C6
ATHPINACA ISOMER 2
CAS:2365471-86-7
Formula: C24H31N3O2
19040
O=C(NC1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2)C4=NN(CC5CCOCC5)C6=C4C=CC=C6
ATI-2341 (TRIFLUOROACETATE SALT)
Formula: C104H178N26O25S2 • XCF3COOH
30990
O=C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(O)=O)CC(C)C)=O)[C@@H](NC([C@H](CCCCN)NC([C@H](CC(O)=O)NC([C@H]([C@H](O)C)NC([C@H](CCSC)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CCC(O)=N)NC([C@@H](NC(CNC([C@H](CCSC)NC(CCCCCCC
ATICAPRANT
CAS:1174130-61-0
Formula: C26H27FN2O2
35464
NC(C1=CC(F)=C(C=C1)OC(C=C2)=CC=C2CN3CCC[C@H]3C4=CC(C)=CC(C)=C4)=O
ATIPAMEZOLE
CAS:104054-27-5
Formula: C14H16N2
34289
CCC1(C2=CN=CN2)CC3=CC=CC=C3C1
ATIPAMEZOLE (HYDROCHLORIDE)
CAS:104075-48-1
Formula: C14H16N2 • HCl
9.00118e+006
CCC1(C2=CN=CN2)CC3=CC=CC=C3C1.Cl
ATM4 4-ACETOXY ANALOG
CAS:91295-74-8
Formula: C23H25NO5
15498
COC1=CC2=C(C=CC3=C2C(OC(C)=O)=C(OC)C=C3)C(CCN(C(C)=O)C)=C1
ATN-161 (TRIFLUOROACETATE SALT)
CAS:904763-27-5
Formula: C23H35N9O8S • CF3COOH
34056
OC(C(F)(F)F)=O.NC(C[C@@H](C(N)=O)NC([C@H](CS)NC([C@H](CO)NC([C@H](CC1=CN=CN1)NC([C@H]2N(C(C)=O)CCC2)=O)=O)=O)=O)=O
ATN-224
CAS:649749-10-0
Formula: C5H14NO • 1/2MoS4
23553
C[N+](C)(C)CCO.C[N+](C)(C)CCO.S=[Mo-2](=S)(=S)=S
ATOGEPANT
CAS:1374248-81-3
Formula: C29H23F6N5O3
35899
O=C1[C@]2(CC3=CC(C(N[C@H]4C[C@@H](C5=C(C(F)=CC=C5F)F)[C@H](N(C4=O)CC(F)(F)F)C)=O)=CN=C3C2)C6=CC=CN=C6N1
ATOMOXETINE-D3 (HYDROCHLORIDE)
CAS:1217776-38-9
Formula: C17H18D3NO • HCl
28162
CC1=CC=CC=C1O[C@H](CCNC([2H])([2H])[2H])C2=CC=CC=C2.Cl
ATORVASTATIN (CALCIUM SALT HYDRATE)
CAS:357164-38-6
Formula: C33H34FN2O5 • 1/2Ca [XH2O]
10493
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4.O=C(C5=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C6=CC=C(F)C=C6)=C5C7=CC=CC=C7)NC8=CC=CC=C8.[Ca+2].O
ATORVASTATIN LACTONE
CAS:125995-03-1
Formula: C33H33FN2O4
20951
O=C(C1=C(C(C)C)N(CC[C@H](C[C@@H](O)C2)OC2=O)C(C3=CC=C(F)C=C3)=C1C4=CC=CC=C4)NC5=CC=CC=C5
ATORVASTATIN LACTONE-D5
Formula: C33H28D5FN2O4
35171
O=C(C1=C(C(C)C)N(CC[C@H](C[C@@H](O)C2)OC2=O)C(C3=CC=C(F)C=C3)=C1C4=C([2H])C([2H])=C([2H])C([2H])=C4[2H])NC5=CC=CC=C5
ATORVASTATIN-D5 (CALCIUM SALT)
CAS:222412-82-0
Formula: C33H29D5FN2O5 • 1/2Ca
25043
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])NC4=CC=CC=C4.[Ca+2]
ATOSIBAN
CAS:90779-69-4
Formula: C43H67N11O12S2
20952
O=C(N[C@H](CC1=CC=C(OCC)C=C1)C(N[C@H](C(N[C@@](C(N[C@H]2CC(N)=O)=O)([H])[C@H](O)C)=O)[C@@H](C)CC)=O)CCSSC[C@@H](C(N3CCC[C@H]3C(N[C@H](C(NCC(N)=O)=O)CCCN)=O)=O)NC2=O
ATOVAQUONE
CAS:95233-18-4
Formula: C22H19ClO3
23802
O=C1C([C@@H]2CC[C@@H](C3=CC=C(Cl)C=C3)CC2)=C(O)C(C4=CC=CC=C41)=O
ATOVAQUONE-D4
CAS:2070015-14-2
Formula: C22H15ClD4O3
28491
O=C1C([C@@H]2CC[C@@H](C3=CC=C(Cl)C=C3)CC2)=C(O)C(C4=C([2H])C([2H])=C([2H])C([2H])=C41)=O
ATPA (HYDRATE)
Formula: C10H16N2O4 • XH2O
30882
NC(C(O)=O)CC1=C(C(C)(C)C)ONC1=O.O
ATRA-BA HYBRID
CAS:1037543-26-2
Formula: C31H40O4
30982
O=C(/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C)OC2=CC=C(C=C2)COC(CCC)=O
ATRACTYLENOLIDE I
CAS:73069-13-3
Formula: C15H18O2
25061
O=C1OC(C(C2)=C1C)=C[C@]3(C)[C@]2([H])C(CCC3)=C
ATRACTYLENOLIDE II
CAS:73069-14-4
Formula: C15H20O2
36173
C[C@]12[C@@](C(CCC2)=C)([H])CC([C@](O3)([H])C1)=C(C)C3=O
ATRACTYLENOLIDE III
CAS:73030-71-4
Formula: C15H20O3
24911
O=C(O1)C(C)=C2[C@]1(O)C[C@](CCCC3=C)(C)[C@@]3([H])C2
ATRACTYLODIN
CAS:55290-63-6
Formula: C13H10O
35033
C/C=C/C#CC#C/C=C/C1=CC=CO1
ATRANORIN
CAS:479-20-9
Formula: C19H18O8
28106
CC1=CC(OC(C2=C(O)C(C=O)=C(O)C=C2C)=O)=C(C)C(O)=C1C(OC)=O
ATRAZINE
CAS:1912-24-9
Formula: C8H14ClN5
13375
CCNc1nc(NC(C)C)nc(Cl)n1
ATRAZINE MERCAPTURATE
CAS:138722-96-0
Formula: C13H22N6O3S
20395
CCNC1=NC(NC(C)C)=NC(SC[C@H](NC(C)=O)C(O)=O)=N1
ATRAZINE-D5
CAS:163165-75-1
Formula: C8H9ClD5N5
39551
ClC1=NC(NC(C)C)=NC(NC([2H])([2H])C([2H])([2H])[2H])=N1
ATRELEUTON
CAS:154355-76-7
Formula: C16H15FN2O2S
28736
FC1=CC=C(CC2=CC=C(C#C[C@H](N(C(N)=O)O)C)S2)C=C1
ATRIAL NATRIURETIC PEPTIDE (1-28) (HUMAN) (TRIFLUOROACETATE SALT)
CAS:89213-87-6
Formula: C127H203N45O39S3 • XCF3COOH
24539
[H]N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C
ATRIAL NATRIURETIC PEPTIDE (1-28) (RAT) (TRIFLUOROACETATE SALT)
Formula: C128H205N45O39S2 • XCF3COOH
24276
[H]N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@H](C(N[C@@H](CCC(N)=O
ATRIAL NATRIURETIC PEPTIDE (3-28) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C118H187N43O36S3 • XCF3COOH
24540
[H]N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(NCC(N[C@@H](CC(C)C)C(NCC1=O)=
ATX-001
CAS:1777792-33-2
Formula: C40H74N2O5S
39037
CN(C)CCSCC(N(CCCCCCCC(OC/C=C\CCCCCC)=O)CCCCCCCC(OC/C=C\CCCCCC)=O)=O
AUCUBIN
CAS:479-98-1
Formula: C15H22O9
24928
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@](O[C@H]2[C@@](C(CO)=C[C@H]3O)([H])[C@@]3([H])C=CO2)([H])O1
AUDA
CAS:479413-70-2
Formula: C23H40N2O3
1.00079e+007
O=C(NCCCCCCCCCCCC(O)=O)NC12C[C@@H](C[C@H](C3)C2)C[C@@H]3C1
AUNP-12
CAS:1353563-85-5
Formula: C142H226N40O48
28053
OC(CC[C@H](NC([C@@H](NC([C@@H](NC([C@H](CCC(N)=O)NC([C@H](C)NC([C@@H](NC([C@@H]1CCCN1C([C@H](C)NC([C@H](CC(C)C)NC([C@H](CCC(N)=O)NC([C@@]([C@H](O)C)([H])NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](CC2=CC=CC=C2)NC([C@H](CCCCNC([C@H](CC3=CC=CC=C3)NC([C@@H](
AURANTIOOBTUSIN
CAS:67979-25-3
Formula: C17H14O7
27481
OC1=C(OC)C(O)=C(C(C(C(OC)=C(O)C(C)=C2)=C2C3=O)=O)C3=C1
AURAPTENE
CAS:495-02-3
Formula: C19H22O3
14000
O=C1C=CC2=C(C=C(OC/C=C(C)/CC/C=C(C)\C)C=C2)O1
AUREOBASIDIN A
CAS:127785-64-2
Formula: C60H92N8O11
39722
[H][C@@]12CCCN1C([C@@H](N(C([C@@H](NC([C@@H](N(C([C@@]([C@@H](CC)C)(OC([C@@H](N(C([C@@H](NC([C@@H](N(C([C@@]([H])(NC2=O)[C@H](C)CC)=O)C)C(C)C)=O)CC(C)C)=O)C)C(C)(C)O)=O)[H])=O)C)C(C)C)=O)CC3=CC=CC=C3)=O)C)CC4=CC=CC=C4)=O
AUREONITOL
CAS:71774-51-1
Formula: C13H18O2
32925
C/C=C/C=C/[C@H]1CO[C@@H](/C=C/C=C)[C@@H]1O
AUREUSIMINE B
CAS:170713-71-0
Formula: C14H16N2O
18752
CC(C)C1=NC=C(NC1=O)CC2=CC=CC=C2
AURINTRICARBOXYLIC ACID (AMMONIUM SALT)
CAS:569-58-4
Formula: C22H11O9 • 3NH4
30636
[O-]C(C(C(C=C/1)=O)=CC1=C(C2=CC=C(O)C(C([O-])=O)=C2)\C3=CC=C(O)C(C([O-])=O)=C3)=O.[NH4+].[NH4+].[NH4+]
AURODOX
CAS:12704-90-4
Formula: C44H62N2O12
27584
O[C@H]1[C@@H](/C=C/C=C/C=C(C)/C(C2=C(O)C=CN(C)C2=O)=O)O[C@]([C@H](C)[C@@H](/C(C)=C/C=C/CNC([C@@H](CC)[C@]3(O)[C@H](O)[C@H](O)C(C)(C)[C@H](/C=C/C=C\C)O3)=O)OC)([H])[C@H]1O
AURORA A INHIBITOR I
CAS:1158838-45-9
Formula: C31H31ClFN7O2
21600
ClC1=CC=CC=C1NC(C2=CC=C(NC3=NC(NC4=CC=C(CC(N5CCN(CC)CC5)=O)C=C4)=NC=C3F)C=C2)=O
AURORA KINASE INHIBITOR II
CAS:331770-21-9
Formula: C23H20N4O3
17541
COC1=C(OC)C=C(C(NC2=CC=C(NC(C3=CC=CC=C3)=O)C=C2)=NC=N4)C4=C1
AURORA KINASE INHIBITOR III
CAS:879127-16-9
Formula: C21H18F3N5O
21851
O=C(C1CC1)NC2=CC=CC(NC3=NC=CC(NC4=CC=CC(C(F)(F)F)=C4)=N3)=C2
AUROTHIOGLUCOSE (HYDRATE)
Formula: C6H11AuO5S • XH2O
30732
O[C@@H]([C@@H]1O)[C@]([OH][Au+][S-]2)([H])C2O[C@@H]1CO.O
AUSTRALINE (HYDROCHLORIDE)
CAS:186766-07-4
Formula: C8H15NO4 • HCl
30051
OC[C@@H]1[C@@H](O)[C@H](O)[C@]2([H])N1CC[C@@H]2O.Cl
AUT1
CAS:1311136-84-1
Formula: C18H19N3O4
28599
CC1=CC=C(OC2=CC=C(N3C(N[C@H](CC)C3=O)=O)C=N2)C=C1OC
AUTEN-99
CAS:1049780-58-6
Formula: C17H14N2S • HBr
30047
N12C(SC(C3=CC=C(C4=CC=CC=C4)C=C3)=C2)=NCC1.Br
AUTOCAMTIDE 2 (TRIFLUOROACETATE SALT)
Formula: C65H118N22O20 • XCF3COOH
24788
[H]N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@]([C@@H](C)O)([H])C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)C)=O)CC(O)=O)=O)=O)=O)=O)=O)=O)
Autocamtide-2-related Inhibitory Peptide (trifluoroacetate salt)
Formula: C64H116N22O19 • CF3COOH
17590
O=C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCCN)N)=O)CCCCN)=O)C)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCCNC(N)=N)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)C)=O)CC(O)=O)=O)C(C)C)=O)C)=O)CCC(O)=O)=O)CCC(N)=O.
AUTOPHINIB
CAS:1644443-47-9
Formula: C14H11ClN6O3
27320
ClC1=CC(NC2=NNC(C)=C2)=NC(OC3=CC=C([N+]([O-])=O)C=C3)=N1
AUXINOLE
CAS:86445-22-9
Formula: C20H19NO3
40334
O=C(C(CC(C1=CC=C(C)C=C1C)=O)C2=CNC3=C2C=CC=C3)O
AUY954
CAS:820240-77-5
Formula: C25H20F3NO2S
9.00055e+006
OC(CCNCC1=CC=C2C(C=C(C3=CC(C(F)(F)F)=C(C4=CC=CC=C4)C=C3)S2)=C1)=O
AV-412
CAS:451493-31-5
Formula: C27H28ClFN6O • 2C7H8O3S
29039
FC1=CC=C(NC2=C(C=C(NC(C=C)=O)C(C#CC(C)(C)N3CCN(C)CC3)=C4)C4=NC=N2)C=C1Cl.CC5=CC=C(S(O)(=O)=O)C=C5.CC6=CC=C(S(O)(=O)=O)C=C6
AVACOPAN
CAS:1346623-17-3
Formula: C33H35F4N3O2
36639
O=C(C1=C(C=CC=C1F)C)N2[C@](C3=CC=C(C=C3)NC4CCCC4)([H])[C@H](CCC2)C(NC5=CC(C(F)(F)F)=C(C=C5)C)=O
AVAGACESTAT
CAS:1146699-66-2
Formula: C20H17ClF4N4O4S
16711
O=S(N([C@@H](C(N)=O)CCC(F)(F)F)CC1=CC=C(C2=NOC=N2)C=C1F)(C3=CC=C(Cl)C=C3)=O
AVANAFIL
CAS:330784-47-9
Formula: C23H26ClN7O3
23024
COC1=CC=C(CNC2=NC(N3CCC[C@H]3CO)=NC=C2C(NCC4=NC=CC=N4)=O)C=C1Cl
AVANAFIL METABOLITE M16
CAS:2748151-94-0
Formula: C23H26ClN7O5
27844
COC1=CC=C(CNC2=NC(NC(CO)CCC(O)=O)=NC=C2C(NCC3=NC=CC=N3)=O)C=C1Cl
AVANAFIL METABOLITE M4
Formula: C23H26ClN7O4
27843
COC1=CC=C(CNC2=NC(N3C[C@H](O)C[C@H]3CO)=NC=C2C(NCC4=NC=CC=N4)=O)C=C1Cl
AVANAFIL-13C-D3
CAS:2738376-89-9
Formula: C22[13C]H23ClD3N7O3
31687
ClC(C=C1CNC2=NC(N3CCC[C@H]3CO)=NC=C2C(NCC4=NC=CC=N4)=O)=C(C=C1)O[13C]([2H])([2H])[2H]
AVASIMIBE
CAS:166518-60-1
Formula: C29H43NO4S
18129
CC(C)C1=C(OS(NC(CC2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)=O)(=O)=O)C(C(C)C)=CC=C1
AVATROMBOPAG
CAS:570406-98-3
Formula: C29H34Cl2N6O3S2
26535
ClC1=CC(C(NC2=NC(C3=CC(Cl)=CS3)=C(N4CCN(C5CCCCC5)CC4)S2)=O)=CN=C1N6CCC(C(O)=O)CC6
AVE-0991
CAS:304462-19-9
Formula: C29H32N4O5S2
37837
O=CC1=C(OC)N=C(N1CC2=CC=C(C3=C(S(NC(NCC)=O)(=O)=O)SC(CC(C)C)=C3)C=C2)C4=CC=CC=C4
AVE-1625
CAS:358970-97-5
Formula: C23H20Cl2F2N2O2S
1.0009e+007
Clc1ccc(cc1)C(c1ccc(Cl)cc1)N1CC(C1)N(c1cc(F)cc(F)c1)S(=O)(=O)C
AVENACIOLIDE
CAS:26057-70-5
Formula: C15H22O4
28128
O=C(C1=C)O[C@@]2([H])[C@]1([H])[C@H](CCCCCCCC)OC2=O
AVENANTHRAMIDE-C METHYL ESTER
CAS:955382-52-2
Formula: C17H15NO6
1.00113e+007
OC1=CC(C(OC)=O)=C(NC(/C=C/C2=CC(O)=C(O)C=C2)=O)C=C1
AVERANTIN
CAS:5803-62-3
Formula: C20H20O7
28059
OC1=CC(O)=CC(C(C2=C3C(O)=C([C@@H](O)CCCCC)C(O)=C2)=O)=C1C3=O
AVERMECTIN B1A AGLYCONE
CAS:71828-14-3
Formula: C34H48O8
28051
C/C([C@@H](O)[C@@H](C)/C=C/C=C(CO1)/[C@@]([C@@]1([H])[C@H](O)C(C)=C2)(O)[C@]2([H])C3=O)=C\C[C@]4([H])C[C@@](O3)([H])C[C@]5(C=C[C@H](C)[C@]([C@@H](C)CC)([H])O5)O4
AVERMECTIN B1A MONOSACCHARIDE
CAS:71831-09-9
Formula: C41H60O11
26690
C/C([C@@H](O[C@@]1([H])C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@@H](C)/C=C/C=C(CO2)/[C@@]([C@@]2([H])[C@H](O)C(C)=C3)(O)[C@]3([H])C4=O)=C\C[C@]5([H])C[C@@](O4)([H])C[C@]6(C=C[C@H](C)[C@]([C@@H](C)CC)([H])O6)O5
AVIBACTAM (SODIUM SALT)
CAS:1192491-61-4
Formula: C7H10N3O6S • Na
22825
NC([C@H]1[N@@](C2)C(N(OS([O-])(=O)=O)[C@@H]2CC1)=O)=O.[Na+]
AVICULARIN
CAS:572-30-5
Formula: C20H18O11
33918
O=C(C(O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)=C(C2=CC(O)=C(C=C2)O)OC3=CC(O)=C4)C3=C4O
AVILAMYCIN A
CAS:69787-79-7
Formula: C61H88Cl2O32
29135
C[C@@H]1[C@@H](OC(C2=C(C)C(Cl)=C(O)C(Cl)=C2OC)=O)[C@H](O)C[C@H](O[C@@H]3[C@@H](C)OC4(O[C@@H]5[C@@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O[C@@H]7[C@@H](COC)O[C@@H](OC8[C@H](OC(C(C)C)=O)[C@H]9[C@@H](O[C@]%10([C@H]%11[C@@H](OCO%11)[C@@](C(C)=O)(O)[C@@H](C)O%10)
AVITINIB
CAS:1557267-42-1
Formula: C26H26FN7O2
21387
CN1CCN(C2=C(F)C=C(NC3=NC(OC4=CC(NC(C=C)=O)=CC=C4)=C(C=CN5)C5=N3)C=C2)CC1
AVL-292
CAS:1202757-89-8
Formula: C22H22FN5O3
17993
FC(C(NC1=CC(NC(C=C)=O)=CC=C1)=N2)=CN=C2NC3=CC=C(OCCOC)C=C3
AVN-101 (hydrochloride)
CAS:1061354-48-0
Formula: C21H24N2 • HCl
38791
CN(C1)CCC2=C1C3=C(C=CC(C)=C3)N2CCC4=CC=CC=C4.Cl
AVN-492
CAS:1220646-23-0
Formula: C17H21N5O2S
28079
CN(C)C(C(C)=N1)=C(C)N2C1=C(S(C3=CC=CC=C3)(=O)=O)C(NC)=N2
AVN-944
CAS:297730-17-7
Formula: C25H27N5O5
21284
COC1=C(C2=CN=CO2)C=CC(NC(NC3=CC([C@@H](NC(O[C@H](CC)CC#N)=O)C)=CC=C3)=O)=C1
AVOBENZONE
CAS:70356-09-1
Formula: C20H22O3
23836
CC(C)(C)C1=CC=C(C(CC(C2=CC=C(OC)C=C2)=O)=O)C=C1
AVOBENZONE-13C-D3
CAS:2933758-47-3
Formula: C19[13C]H19D3O3
33367
CC(C)(C)C1=CC=C(C(CC(C2=CC=C(O[13C]([2H])([2H])[2H])C=C2)=O)=O)C=C1
AVORALSTAT
CAS:918407-35-9
Formula: C28H27N5O5
35610
O=C(C1=C(C2=C(C(NC3=CC=C(C(N)=N)C=C3)=O)C=C(C=C)C(OC)=C2)C=CC(C(NCC4CC4)=O)=N1)O
AVRAINVILLAMIDE
CAS:269741-97-1
Formula: C26H27N3O4
31655
O=C1[C@@](C=C(C2=CC=C3C(C=CC(C)(C)O3)=C24)C5=[N]4=O)(NC6=O)[C@@](C5(C)C)([H])CC76N1CCC7
AVRIDINE
CAS:35607-20-6
Formula: C43H90N2O2
30198
OCCN(CCO)CCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
avß5 integrin-IN-1
CAS:2615912-33-7
Formula: C25H28F3N3O3
39733
O=C([C@@H](CC(O)=O)C1=CC(C(F)(F)F)=CC=C1)N2CC[C@@H](CCC(N3)=CC=C4C3=NCCC4)C2
AWD 131-138
CAS:188116-07-6
Formula: C13H14ClN3O2
16235
O=C1N(C2=CC=C(Cl)C=C2)CC(N3CCOCC3)=N1
AX 048
CAS:873079-69-7
Formula: C22H41NO4
13823
O=C(C(NCCCC(OCC)=O)=O)CCCCCCCCCCCCCC
AX-024 (HYDROCHLORIDE)
CAS:1704801-24-0
Formula: C21H22FNO2 • HCl
27333
COC1=CC=C2C(C(C3=CC=C(F)C=C3)=C(CN4CCCC4)CO2)=C1.Cl
AXITINIB
CAS:319460-85-0
Formula: C22H18N4OS
13813
O=C(NC)C1=C(SC2=CC3=C(C(/C=C/C4=NC=CC=C4)=NN3)C=C2)C=CC=C1
AXITINIB SULFOXIDE
CAS:1347304-18-0
Formula: C22H18N4O2S
28042
O=C(NC)C1=C(S(C2=CC3=C(C(/C=C/C4=NC=CC=C4)=NN3)C=C2)=O)C=CC=C1
AXITINIB-13C-D3
CAS:1261432-00-1
Formula: C21[13C]H15D3N4OS
26676
O=C(N[13C]([2H])([2H])[2H])C1=C(SC2=CC3=C(C(/C=C/C4=NC=CC=C4)=NN3)C=C2)C=CC=C1
AZ 10606120 (hydrochloride)
CAS:607378-18-7
Formula: C25H34N4O2 • 2HCl
35820
O=C(CC12CC3CC(C2)CC(C1)C3)NC4=CC=CC5=NC(NCCNCCO)=CC=C54.Cl.Cl
AZ 12216052
CAS:1290628-31-7
Formula: C19H22BrNOS
29460
BrC1=CC=C(CSCC(NC2=CC=C(C(C)CC)C=C2)=O)C=C1
AZ 20
CAS:1233339-22-4
Formula: C21H24N4O3S
17589
CS(C1(CC1)C2=CC(N3[C@H](C)COCC3)=NC(C4=CC=CC5=C4C=CN5)=N2)(=O)=O
AZ 304
CAS:942507-42-8
Formula: C27H25N5O2
37580
N#CC(C)(C)C1=CC(C(NC2=CC=C(C)C(NC3=NC=NC4=C3C=CC(OC)=C4)=C2)=O)=CC=C1
AZ 3146
CAS:1124329-14-1
Formula: C24H32N6O3
19991
CN1CCC(OC2=CC(OC)=C(NC3=NC=C(N(C)C(N4C5CCCC5)=O)C4=N3)C=C2)CC1
AZ 32
CAS:2288709-96-4
Formula: C20H16N4O
26380
O=C(NC)C1=CC=C(C2=CN=C3N2C=C(C4=CC=CC=C4)N=C3)C=C1
AZ 33
CAS:1370290-34-8
Formula: C25H27N3O6S
25444
OC(C(C(O)=O)CC1=CC=C(CCCC(NCCC(NC2=CC=C(N=C(C)S3)C3=C2)=O)=O)C=C1)=O
AZ 505
CAS:1035227-43-0
Formula: C29H38Cl2N4O4
16875
O=C1COC2=C(CCNCCN(C3CCCCC3)C(CCNCCC4=CC(Cl)=C(Cl)C=C4)=O)C=CC(O)=C2N1
AZ 5104
CAS:1421373-98-9
Formula: C27H31N7O2
17994
CN(CCN(C)C)C1=C(NC(C=C)=O)C=C(NC2=NC=CC(C3=CNC4=C3C=CC=C4)=N2)C(OC)=C1
AZ 6102
CAS:1645286-75-4
Formula: C25H28N6O
19898
C[C@H]1CN(C2=NC=C(C3=CC=C(C4=NC(C(C=CN5C)=C5N4)=O)C=C3)C(C)=C2)C[C@@H](C)N1
AZ 7371
CAS:1494675-86-3
Formula: C18H21N5O3
19310
COC1=C(C)C(CN2C=C(C(NCCO)=O)C3=C2C=C(C)C=N3)=NC=N1
AZ 7550 (hydrochloride)
Formula: C27H31N7O2 • XHCl
40753
O=C(NC1=CC(NC2=NC(C3=CN(C)C4=C3C=CC=C4)=CC=N2)=C(C=C1N(CCNC)C)OC)C=C.Cl
AZ 960
CAS:905586-69-8
Formula: C18H16F2N6
16731
FC1=CC=C([C@H](C)NC2=C(C#N)C=C(F)C(NC3=NNC(C)=C3)=N2)C=C1
AZ-GHS-22
CAS:1143020-91-0
Formula: C27H33ClN6O5S2
34611
O=C(NC1=NC2=C(S1)C=C(S(=O)(CCCN3CCN(CC3)C)=O)C=C2)NC(C4=CC(N5CCOCC5)=CC=C4Cl)=O
AZ1 USP25/28 Inhibitor
CAS:2165322-94-9
Formula: C17H16BrF4NO2
40335
FC1=CC=C(COC2=CC=C(C=C2CNCCO)Br)C=C1C(F)(F)F
AZ191
CAS:1594092-37-1
Formula: C24H27N7O
17693
CN1CCN(C2=CC=C(NC3=NC=CC(C4=CN(C)C5=C4C=CN=C5)=N3)C(OC)=C2)CC1
AZ3451
CAS:2100284-59-9
Formula: C30H27BrN4O3
29671
O=C(C1=CC(N=C(C2=C(Br)C=C(OCO3)C3=C2)N4[C@H](C5CCCCC5)C)=C4C=C1)NC6=CC=C(C#N)C=C6
AZ82
CAS:1449578-65-7
Formula: C28H31F3N4O3S
21898
O=C(N[C@@H]1CCNC1)[C@H](NC(C2=CC(CCC)=C(C)S2)=O)CC3=CC=C(C4=CC(OC(F)(F)F)=CC=C4)N=C3
AZ876
CAS:898800-26-5
Formula: C24H29N3O3S
34413
O=C(C(NC1=CC=C(N2CCCCC2)C=C1)=C3C4=CC=CC=C4)N(C(C)(C)C)S3(=O)=O
AZ9482
CAS:1825345-33-2
Formula: C26H22N6O2
30292
O=C1C2=CC=CC=C2C(CC3=CC(C(N4CCN(C5=NC=CC=C5C#N)CC4)=O)=CC=C3)=NN1
AZACYCLONOL
CAS:115-46-8
Formula: C18H21NO
27303
OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3CCNCC3
AZADIRACHTIN
CAS:11141-17-6
Formula: C35H44O16
21893
O=C(OC)[C@@]1(O)OC[C@]23[C@@H](OC(/C(C)=C/C)=O)C[C@@H](OC(C)=O)[C@]4(C(OC)=O)[C@]2([H])[C@](OC4)([H])[C@@H](O)[C@@](C)([C@]56[C@@](C)(O6)[C@]7([H])[C@](C=CO8)(O)[C@]8([H])O[C@@]5([H])C7)[C@@]31[H]
AZADIRACHTIN B
CAS:106500-25-8
Formula: C33H42O14
29569
O=C(OC)[C@H]1OC[C@]23[C@@H](O)C[C@@H](OC(/C(C)=C/C)=O)[C@]4(C(OC)=O)[C@]2([H])[C@](OC4)([H])[C@@H](O)[C@@](C)([C@]56[C@@](C)(O6)[C@]7([H])[C@](C=CO8)(O)[C@]8([H])O[C@@]5([H])C7)[C@@]31[H]
AZAMULIN
CAS:76530-44-4
Formula: C24H38N4O4S
18748
O=C1CC[C@@]23[C@@H](C)[C@H](O)[C@@](CC)(C)C[C@@H](OC(CSC4=NN=C(N)N4)=O)[C@](C)([C@H](C)CC3)[C@@]21[H]
AZARIBINE
CAS:2169-64-4
Formula: C14H17N3O9
40131
CC(OC[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](N2N=CC(NC2=O)=O)O1)=O
AZASETRON (HYDROCHLORIDE)
CAS:123040-16-4
Formula: C17H20ClN3O3 • HCl
28383
O=C(C1=C(OCC(N2C)=O)C2=CC(Cl)=C1)NC3C4CCN(CC4)C3.Cl
AZATADINE (MALEATE)
CAS:3978-86-7
Formula: C20H22N2 • 2C4H4O4
29758
CN(CC/1)CCC1=C2C(N=CC=C3)=C3CCC4=C\2C=CC=C4.OC(/C=C\C(O)=O)=O.OC(/C=C\C(O)=O)=O
AZATHIOPRINE
CAS:446-86-6
Formula: C9H7N7O2S
13987
CN1C(SC2=NC=NC3=C2NC=N3)=C([N+]([O-])=O)N=C1
AZD 0156
CAS:1821428-35-6
Formula: C26H31N5O3
25648
CN(C)CCCOC(C=C1)=NC=C1C2=CC3=C(C=C2)N=CC4=C3N(C5CCOCC5)C(N4C)=O
AZD 0865
CAS:248919-64-4
Formula: C21H26N4O2
36805
O=C(C1=CN2C(C)=C(C)N=C2C(NCC3=C(C)C=CC=C3C)=C1)NCCO
AZD 1080
CAS:612487-72-6
Formula: C19H18N4O2
16676
OC(NC1=C2C=C(C#N)C=C1)=C2C3=NC=C(CN4CCOCC4)C=C3
AZD 1152 (HYDROCHLORIDE)
CAS:722543-50-2
Formula: C26H31FN7O6P • 2HCl
13647
CCN(CCOP(O)(O)=O)CCCOC1=CC2=C(C(NC3=CC(CC(NC4=CC(F)=CC=C4)=O)=NN3)=NC=N2)C=C1.Cl.Cl
AZD 1152-HQPA
CAS:722544-51-6
Formula: C26H30FN7O3
11602
OCCN(CC)CCCOC1=CC2=C(C(NC3=CC(CC(NC4=CC(F)=CC=C4)=O)=NN3)=NC=N2)C=C1
AZD 1208
CAS:1204144-28-4
Formula: C21H21N3O2S
20235
O=C(N1)S/C(C1=O)=C\C2=C(N3CCC[C@@H](N)C3)C(C4=CC=CC=C4)=CC=C2
AZD 1283
CAS:919351-41-0
Formula: C23H26N4O5S
27649
CCOC(C1=CC(C#N)=C(N2CCC(C(NS(CC3=CC=CC=C3)(=O)=O)=O)CC2)N=C1C)=O
AZD 1390
CAS:2089288-03-7
Formula: C27H32FN5O2
36498
O=C1N(C)C2=C(N1C(C)C)C3=CC(C4=CN=C(OCCCN5CCCCC5)C=C4)=C(F)C=C3N=C2
AZD 1981
CAS:802904-66-1
Formula: C19H17ClN2O3S
20763
CC(NC1=C(C(SC2=CC=C(Cl)C=C2)=C(C)N3CC(O)=O)C3=CC=C1)=O
AZD 2098
CAS:566203-88-1
Formula: C11H9Cl2N3O3S
27633
COC1=NC=CN=C1NS(C2=C(Cl)C(Cl)=CC=C2)(=O)=O
AZD 2461
CAS:1174043-16-3
Formula: C22H22FN3O3
16876
O=C1C2=CC=CC=C2C(CC3=CC(C(N4CCC(OC)CC4)=O)=C(F)C=C3)=NN1
AZD 2716
CAS:1845753-81-2
Formula: C24H23NO3
35067
NC(C1=C(C2=CC(C[C@@H](C)C(O)=O)=CC=C2)C=C(C=C1)CC3=CC=CC=C3)=O
AZD 2858
CAS:486424-20-8
Formula: C21H23N7O3S
16728
NC1=NC=C(C2=CC=C(S(N3CCN(C)CC3)(=O)=O)C=C2)N=C1C(NC4=CC=CN=C4)=O
AZD 2932
CAS:883986-34-3
Formula: C24H25N5O4
17741
COC1=CC2=C(C(OC3=CC=C(CC(NC4=CN(C(C)C)N=C4)=O)C=C3)=NC=N2)C=C1OC
AZD 3147
CAS:1101810-02-9
Formula: C24H31N5O4S2
22474
S=C(NCCO)NC(C=C1)=CC=C1C2=NC(C3(CC3)S(C4CC4)(=O)=O)=CC(N5CCOC[C@@H]5C)=N2
AZD 3229
CAS:2248003-60-1
Formula: C24H26FN7O3
27908
COCCOC1=CC(F)=C(C(NC2=CC=C(NC(CN3N=NC(C(C)C)=C3)=O)C=C2)=NC=N4)C4=C1
AZD 3264
CAS:1609281-86-8
Formula: C21H23N5O4S
19309
O=C(N)NC1=C(C(N)=O)C=C(C2=C(O[C@H]3CCNC3)C=C(C4=C(C)ON=C4C)C=C2)S1
AZD 3293
CAS:1383982-64-6
Formula: C26H28N4O
24934
CO[C@@H](CC1)CC[C@@]1(C2)[C@]3(N=C(C)C(N)=N3)C4=C2C=CC(C5=CC(C#CC)=CN=C5)=C4
AZD 3463
CAS:1356962-20-3
Formula: C24H25ClN6O
26172
ClC1=CN=C(NC2=C(OC)C=C(N3CCC(N)CC3)C=C2)N=C1C4=CNC5=C4C=CC=C5
AZD 3759
CAS:1626387-80-1
Formula: C22H23ClFN5O3
19931
ClC1=C(F)C(NC2=NC=NC3=C2C=C(OC(N4[C@H](C)CN(C)CC4)=O)C(OC)=C3)=CC=C1
AZD 3839
CAS:1227163-84-9
Formula: C24H16F3N5
28388
FC1=C(C(N)=N[C@@]2(C3=CC=CC(C4=CN=CN=C4)=C3)C5=CC(C(F)F)=NC=C5)C2=CC=C1
AZD 3965
CAS:1448671-31-5
Formula: C21H24F3N5O5S
19912
CC(C)N(C(N1C)=O)C2=C(C(C(N3C[C@](C)(O)CO3)=O)=C(CC4=C(C)NN=C4C(F)(F)F)S2)C1=O
AZD 4205
CAS:2091134-68-6
Formula: C25H31N9O2
36622
C[C@@H](N1CCN(CC1)C)C(NC2=C3C(C(C4=NC(NC5=CN(C)N=C5OC)=NC=C4)=CN3)=CC=C2)=O
AZD 4573
CAS:2057509-72-3
Formula: C22H28ClN5O2
33306
ClC1=C(C=C(NC([C@@H]2C[C@H](NC(C)=O)CCC2)=O)N=C1)C3=C4N(CC(C)(C4)C)N=C3
AZD 4604
CAS:2241039-81-4
Formula: C28H31F2N7O4S
39890
FC1=C(C2=CNC3=C2C=CC=C3NC([C@@H](COC)N4CCN(C)CC4)=O)N=C(NC5=C(F)C(S(C)(=O)=O)=CC=C5)N=C1
AZD 4635
CAS:1321514-06-0
Formula: C15H11ClFN5
26322
NC1=NC(C2=CC=C(F)C=C2)=C(C3=CC(C)=NC(Cl)=C3)N=N1
AZD 5069
CAS:878385-84-3
Formula: C18H22F2N4O5S2
28297
FC1=C(F)C(CSC2=NC(O[C@H](C)[C@@H](O)CO)=CC(NS(N3CCC3)(=O)=O)=N2)=CC=C1
AZD 5153
CAS:1869912-39-9
Formula: C25H33N7O3
20864
COC1=NN=C2N1N=C(N3CCC(C4=CC=C(OCCN5[C@H](C)C(N(C)CC5)=O)C=C4)CC3)C=C2
AZD 5305
CAS:2589531-76-8
Formula: C22H26N6O2
37769
O=C(C1=NC=C(N2CCN(CC2)CC3=CC4=C(C=C(CC)C(N4)=O)N=C3)C=C1)NC
AZD 5363
CAS:1143532-39-1
Formula: C21H25ClN6O2
15406
O=C(N[C@@H](CCO)C1=CC=C(Cl)C=C1)C(CC2)(N)CCN2C3=C4C(NC=C4)=NC=N3
AZD 5438
CAS:602306-29-6
Formula: C18H21N5O2S
21598
CS(C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=CC=N2)C=C1)(=O)=O
AZD 5462
CAS:2787501-83-9
Formula: C30H41FN2O6
40956
[H][C@]1([C@H]2NC(C3=C(OC)C=C(F)C(O[C@H]4CC[C@](C(O)=O)(C)CC4)=C3)=O)CC[C@](C1)([C@@H]2C(NCC5(C)CCC5)=O)[H]
AZD 5582
CAS:1258392-53-8
Formula: C58H78N8O8
30932
O=C([C@@H]1CCCN1C([C@@H](NC([C@@H](NC)C)=O)C2CCCCC2)=O)N[C@@H]3[C@H](OCC#CC#CCO[C@H]4[C@@H](NC([C@@H]5CCCN5C([C@@H](NC([C@@H](NC)C)=O)C6CCCCC6)=O)=O)C7=C(C=CC=C7)C4)CC8=C3C=CC=C8
AZD 5597
CAS:924641-59-8
Formula: C23H28FN7O
38526
FC1=CN=C(N=C1C2=CN=C(N2C(C)C)C)NC3=CC=C(C(N4CC[C@H](NC)C4)=O)C=C3
AZD 5904
CAS:618913-30-7
Formula: C10H12N4O2S
33931
O=C(NC1=S)C(NC=N2)=C2N1C[C@H]3CCCO3
AZD 5991
CAS:2143061-81-6
Formula: C35H34ClN5O3S2
28926
ClC1=C(C2=C(C)N(C)N=C2CSC3)C(N(C)C(C(O)=O)=C4CCCOC5=CC(SCC6=CC3=NN6C)=CC7=C5C=CC=C7)=C4C=C1
AZD 6244
CAS:606143-52-6
Formula: C17H15BrClFN4O3
11599
CN(C=N1)C2=C1C(F)=C(NC3=CC=C(Br)C=C3Cl)C(C(NOCCO)=O)=C2
AZD 6482
CAS:1173900-33-8
Formula: C22H24N4O4
15250
O=C1N2C(C([C@@H](C)NC3=C(C(O)=O)C=CC=C3)=CC(C)=C2)=NC(N4CCOCC4)=C1
AZD 6738
CAS:1352226-88-0
Formula: C20H24N6O2S
21035
CS(C1(CC1)C2=CC(N3CCOC[C@H]3C)=NC(C4=C5C(NC=C5)=NC=C4)=N2)(=O)=N
AZD 7325
CAS:942437-37-8
Formula: C19H19FN4O2
36449
O=C(C1=C(N)C2=CC=CC(C3=C(OC)C=CC=C3F)=C2N=N1)NCCC
AZD 7507
CAS:1041852-85-0
Formula: C23H27FN6O3
37485
O=C(C1=C(NC2=CC=C(C)C=C2F)C3=C(C=C(C(N4CCN(CC4)CCO)=C3)OC)N=N1)N
AZD 7545
CAS:252017-04-2
Formula: C19H18ClF3N2O5S
19282
O=C(N(C)C)C1=CC=C(S(C2=CC(Cl)=C(NC([C@](O)(C)C(F)(F)F)=O)C=C2)(=O)=O)C=C1
AZD 7624
CAS:1095004-78-6
Formula: C27H30FN5O3
27690
CNCCOC1=CC=CC=C1C2(CC2)NC3=NC=CN(C4=CC(C(NC5CC5)=O)=CC(F)=C4C)C3=O
AZD 7648
CAS:2230820-11-6
Formula: C18H20N8O2
28598
CN1C2=CN=C(NC3=CN4C(C=C3C)=NC=N4)N=C2N(C5CCOCC5)C1=O
AZD 7762
CAS:860352-01-8
Formula: C17H19FN4O2S
11491
O=C(N[C@@H]1CNCCC1)C2=C(NC(N)=O)C=C(C3=CC=CC(F)=C3)S2
AZD 7986
CAS:1802148-05-5
Formula: C23H24N4O4
33184
CN1C2=CC(C3=CC=C(C=C3)C[C@@H](C#N)NC([C@@H]4CNCCCO4)=O)=CC=C2OC1=O
AZD 8055
CAS:1009298-09-2
Formula: C25H31N5O4
16978
C[C@@H](COCC1)N1C2=NC(N3[C@@H](C)COCC3)=C(C=CC(C4=CC(CO)=C(OC)C=C4)=N5)C5=N2
AZD 8186
CAS:1627494-13-6
Formula: C24H25F2N3O4
17384
FC1=CC(F)=CC(N[C@H](C)C2=C(OC(N3CCOCC3)=CC4=O)C4=CC(C(N(C)C)=O)=C2)=C1
AZD 8797
CAS:911715-90-7
Formula: C19H25N5OS2
28419
NC1=NC2=NC(S[C@@H](C)C3=CC=CC=C3)=NC(N[C@@H](CO)CC(C)C)=C2S1
AZD 8835
CAS:1620576-64-8
Formula: C22H31N9O3
29166
O=C(CCO)N1CCC(C2=NN(CC)C(C3=CN=C(N)C(C4=NN=C(C(C)(C)C)O4)=N3)=N2)CC1
AZD 8931
CAS:848942-61-0
Formula: C23H25ClFN5O3
24196
O=C(NC)CN1CCC(OC2=CC(C(NC3=CC=CC(Cl)=C3F)=NC=N4)=C4C=C2OC)CC1
AZD 9272
CAS:327056-26-8
Formula: C14H6F2N4O
29717
FC1=CC(C#N)=CC(C2=NC(C3=NC=C(F)C=C3)=NO2)=C1
AZD 9291
CAS:1421373-65-0
Formula: C28H33N7O2
16237
CN(CCN(C)C)C1=C(NC(C=C)=O)C=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C(OC)=C1
AZD 9291DA
CAS:1421372-66-8
Formula: C25H31N7O
35570
NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCN(C)C)C
AZD 9668
CAS:848141-11-7
Formula: C25H22F3N5O4S
26083
CS(C1=CC=C(CNC(C2=CC(C3=CC=NN3C)=C(C)N(C4=CC=CC(C(F)(F)F)=C4)C2=O)=O)N=C1)(=O)=O
AZEFUBIM
CAS:2748592-03-0
Formula: C19H17FN2O
23653
FC(C=C1)=CC=C1CN2C=C(C(N3CCC3)=O)C4=C2C=CC=C4
AZELAIC ACID
CAS:123-99-9
Formula: C9H16O4
23977
OC(CCCCCCCC(O)=O)=O
AZELASTINE (HYDROCHLORIDE)
CAS:79307-93-0
Formula: C22H24ClN3O • HCl
20873
O=C1N(C2CCN(C)CCC2)N=C(CC3=CC=C(Cl)C=C3)C4=CC=CC=C41.Cl
AZELASTINE-13C-D3 (HYDROCHLORIDE)
CAS:2930288-75-6
Formula: C21[13C]H21ClD3N3O • HCl
33295
O=C1N(C2CCCN([13C]([2H])([2H])[2H])CC2)N=C(CC3=CC=C(Cl)C=C3)C4=CC=CC=C41.Cl
AZELIRAGON
CAS:603148-36-3
Formula: C32H38ClN3O2
24678
CCCCC1=NC(C2=CC=C(OCCCN(CC)CC)C=C2)=CN1C3=CC=C(OC4=CC=C(Cl)C=C4)C=C3
AZELNIDIPINE
CAS:123524-52-7
Formula: C33H34N4O6
21249
CC1=C(C(OC(C)C)=O)C(C2=CC([N+]([O-])=O)=CC=C2)C(C(OC3CN(C(C4=CC=CC=C4)C5=CC=CC=C5)C3)=O)=C(N)N1
AZIDAMFENICOL
CAS:13838-08-9
Formula: C11H13N5O5
25449
OC[C@@H](NC(CN=[N+]=[N-])=O)[C@H](O)C1=CC=C([N+]([O-])=O)C=C1
Azide-Polysarcosine150
Formula: (C3H5NO)nC5H13N5
39041
O=C(CN(C)CNC)NCCCN=[N+]=[N-]
Azide-Polysarcosine20
Formula: (C3H5NO)nC5H13N5
39038
O=C(CN(C)CNC)NCCCN=[N+]=[N-]
Azide-Polysarcosine50
Formula: (C3H5NO)nC5H13N5
39039
O=C(CN(C)CNC)NCCCN=[N+]=[N-]
AZIDO-DPEG7-AMINE
CAS:1333154-77-0
Formula: C16H34N4O7
30544
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCN
AZIDO-THALIDOMIDE
CAS:2098488-36-7
Formula: C19H20N6O6
26146
O=C(C1=C2C(OCC(NCCCCN=[N+]=[N-])=O)=CC=C1)N(C3C(NC(CC3)=O)=O)C2=O
AZIDOINDOLENE 1
CAS:1364933-69-6
Formula: C21H28FN3O2
17083
O=C1/C(C2=CC=CC=C2N1CCCCCF)=N\NC(C3C(C)(C)C3(C)C)=O
AZILSARTAN
CAS:147403-03-0
Formula: C25H20N4O5
26091
CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC3=CC=C(C4=C(C5=NOC(N5)=O)C=CC=C4)C=C3
AZILSARTAN MEDOXOMIL
CAS:863031-21-4
Formula: C30H24N4O8
23805
CCOC1=NC2=CC=CC(C(OCC(O3)=C(C)OC3=O)=O)=C2N1CC4=CC=C(C5=C(C6=NOC(N6)=O)C=CC=C5)C=C4
AZILSARTAN-D5
CAS:1346599-45-8
Formula: C25H15D5N4O5
33276
O=C(N1)ON=C1C(C=CC=C2)=C2C(C=C3)=CC=C3CN4C5=C(C(O)=O)C=CC=C5N=C4OC([2H])([2H])C([2H])([2H])[2H]
AZITHROMYCIN
CAS:83905-01-5
Formula: C38H72N2O12
15004
C[C@@H]([C@@H]([C@@](C(O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C)=O)([H])C)O[C@@](O[C@@H](C)[C@@H]2O)([H])C[C@@]2(C)OC)[C@H]([C@](O)(C[C@H](CN1C)C)C)O[C@@](O[C@H](C)C[C@@H]3N(C)C)([H])[C@@H]3O
AZITHROMYCIN-13C-D3
CAS:2750534-82-6
Formula: C37[13C]H69D3N2O12
30653
C[C@@H]([C@@H]([C@H](C(O[C@@H]([C@]1(O)C)CC)=O)C)O[C@H](O[C@H]2C)C[C@](C)([C@H]2O)OC)[C@H]([C@](O)(C[C@H](CN([C@@H]([C@H]1O)C)C)C)C)O[C@H](O[C@@H]3C)[C@@H]([C@H](C3)N([13C]([2H])([2H])[2H])C)O
AZITHROMYCIN-D3
CAS:163921-65-1
Formula: C38H69D3N2O12
20675
C[C@@H]([C@@H]([C@H](C(O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C)=O)C)O[C@@](O[C@@H](C)[C@@H]2O)([H])C[C@@]2(C)OC)[C@H]([C@](O)(C[C@H](CN1C([2H])([2H])[2H])C)C)O[C@@](O[C@H](C)C[C@@H]3N(C)C)([H])[C@@H]3O
AZLOCILLIN (SODIUM SALT)
CAS:37091-65-9
Formula: C20H22N5O6S • Na
18424
CC1(C)[C@H](C([O-])=O)N2C([C@@H](NC([C@@H](C3=CC=CC=C3)NC(N4C(NCC4)=O)=O)=O)[C@@]2([H])S1)=O.[Na+]
AZOMYCIN
CAS:527-73-1
Formula: C3H3N3O2
29395
O=[N+](C1=NC=CN1)[O-]
AZORAMIDE
CAS:932986-18-0
Formula: C15H17ClN2OS
18045
CCCC(NCCC1=CSC(C2=CC=C(Cl)C=C2)=N1)=O
AZTREONAM
CAS:78110-38-0
Formula: C13H17N5O8S2
19784
OS(N([C@@H](C)[C@@H]1NC(/C(C2=CSC(N)=N2)=N\OC(C)(C)C(O)=O)=O)C1=O)(=O)=O
AZTREONAM-D6
CAS:1127452-94-1
Formula: C13H11D6N5O8S2
28799
OS(N([C@@H](C)[C@@H]1NC(/C(C2=CSC(N)=N2)=N\OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(O)=O)=O)C1=O)(=O)=O
AZUMOLENE (SODIUM SALT)
CAS:105336-14-9
Formula: C13H8BrN4O3 • Na
16462
BrC1=CC=C(C2=CN=C(/C=N/N3C([N-]C(C3)=O)=O)O2)C=C1.[Na+]
Azurin (50-77) (P. aeruginosa) (trifluoroacetate salt)
Formula: C122H197N31O47S2 • XCF3COOH
36725
OC(C(F)(F)F)=O.CC(C)C[C@@H](C(N[C@@H](CO)C(N[C@]([C@H](O)C)([H])C(N[C@H](C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CCSC)C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@H](O)C)([H])C(N[C@@H](CC(O)=O)C(NCC(N[C@@H](CCSC)C(N[C@H](C(N[C@@H](CO)C(N
AZVUDINE
CAS:1011529-10-4
Formula: C9H11FN6O4
37669
O=C1N([C@@]2([H])[C@@H](F)[C@H](O)[C@](CO)(N=[N+]=[N-])O2)C=CC(N)=N1
B-973B
CAS:2244989-34-0
Formula: C24H26F2N6O
38790
FC(C=C1CCC(N[C@H](C2=CN=CC(N3CCN(C4=CC=CC=N4)CC3)=N2)C)=O)=C(C=C1)F
B-AP15
CAS:1009817-63-3
Formula: C22H17N3O6
11324
O=C(C=C)N(C/C(C/1=O)=C\C2=CC=C([N+]([O-])=O)C=C2)CC1=C/C3=CC=C([N+]([O-])=O)C=C3
B-HT 920 (HYDROCHLORIDE)
CAS:36085-73-1
Formula: C10H15N3S • 2HCl
14177
NC(S1)=NC2=C1CCN(CC=C)CC2.Cl.Cl
B-HT 933 (HYDROCHLORIDE)
CAS:36067-72-8
Formula: C9H15N3O • 2HCl
11941
CCN1CCC(OC(N)=N2)=C2CC1.Cl.Cl
B-RAF IN 1
CAS:950736-05-7
Formula: C29H24F3N5O
23434
CN(C)CC(C=C1)=CC=C1C2=C3N=CC=C(C4=CC=CC(NC(C5=CC=CC(C(F)(F)F)=C5)=O)=C4)N3N=C2
B-RAF INHIBITOR 1 (HYDROCHLORIDE)
CAS:1191385-19-9
Formula: C26H19ClN8 • 2HCl
26792
CC1=C(C(C=CN=C2NC3=CC=C(Cl)C=C3)=C2C=C1)NC4=NC=CC=C4C5=C6C(N=CN6)=NC=N5.Cl.Cl
BACCATIN III
CAS:27548-93-2
Formula: C31H38O11
21404
O[C@H]1C[C@@]([H])(OC2)[C@@]2([C@@]([H])([C@H](OC(C3=CC=CC=C3)=O)[C@@](C[C@@H](C(C)=C4[C@H]5OC(C)=O)O)(O)C4(C)C)[C@]1(C)C5=O)OC(C)=O
BACCATIN VI
CAS:57672-79-4
Formula: C37H46O14
39287
[H][C@](C[C@@H]1OC(C)=O)(OC2)[C@@]2([C@@]([H])([C@H](OC(C3=CC=CC=C3)=O)[C@@](C[C@@H](C(C)=C4[C@H]5OC(C)=O)OC(C)=O)(O)C4(C)C)[C@]1(C)[C@H]5OC(C)=O)OC(C)=O
BACILLOSPORIN C
CAS:76706-63-3
Formula: C26H18O10
23877
O=C(C1=C(O)C=C(C)C2=C13)OC[C@]34[C@](OC5=C4C(O)=C6C7=C5C(C)=CC(O)=C7C(OC6)=O)(O)CC2=O
BACITRACIN (ZINC)
CAS:1405-89-6
Formula: C66H101N17O16S • Zn
21212
CC[C@@H]([C@H]1C(N[C@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CN=CN3)C(N[C@H](CC([O-])=O)C(N[C@@H](CC(N)=O)C(NCCCC[C@H](NC([C@@H](NC([C@H](NC([C@@H](NC(C4=NC(C(C(CC)C)N)SC4)=O)CC(C)C)=O)CCC([O-])=O)=O)[C@H](CC)C)=O)C(N[C@H](CCCN)C(N1)=O)=O)=O)=O)=O)=O)=O)C.[Zn+2]
BACITRACIN A (TECHNICAL GRADE)
CAS:22601-59-8
Formula: C66H103N17O16S
36252
O=C(N[C@@H](C(N[C@@](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(NCCCC1)=O)CC(N)=O)=O)CC(O)=O)=O)CC2=CN=CN2)=O)CC3=CC=CC=C3)=O)([H])[C@@H](C)CC)=O)CCCN)[C@H]1NC([C@H]([C@@H](C)CC)NC([C@@H](CCC(O)=O)NC([C@H](CC(C)C)NC([C@@H]4CSC([C@@H](N)[C@H](CC)C)=N4)=O)=O)=
BACITRACIN COMPLEX
Formula: C66H101N17O16S • Cu (for A)
30189
O=C1N[C@@H](CC(N)=O)C(NCCCC[C@@H](C(N[C@@H](C(N[C@@]([H])([C@@H](C)CC)C(N[C@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H]1CC([O-])=O)=O)CC3=CN=CN3)=O)=O)=O)CCCN)=O)NC([C@@]([C@@H](C)CC)([H])NC([C@@H](CCC([O-])=O)NC([C@H](CC(C)C)NC([C@@H]4CSC([C@@H](N)[C@@H](C)CC)=N4
BACOPASAPONIN C
CAS:178064-13-6
Formula: C46H74O17
11820
O[C@@H]1[C@@H](O)[C@H](CO)O[C@@]1([H])O[C@@H]2[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)CO[C@@]2([H])O[C@H]4CC[C@@]5(C)[C@](CC[C@]6(C)[C@]5([H])CC[C@@]7([H])[C@@]68C[C@@]9(OC8)[C@]7([H])[C@@](C)(O)[C@H](/C=C(C)\C)CO9)([H])C4(C)C
BACOPASIDE I
CAS:382148-47-2
Formula: C46H74O20S
11821
C[C@]12[C@@]34[C@@](CC[C@]1([H])[C@@]5([C@@](C(C)([C@H](CC5)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)COS(=O)(O)=O)O[C@@H]8O[C@H]([C@@H]([C@H]8O)O)CO)C)([H])CC2)C)([H])[C@]9([H])[C@@](OC4)(OC[C@H]([C@@]9(O)C)/C=C(C)\C)C3
BACOPASIDE II
CAS:382146-66-9
Formula: C47H76O18
11822
O[C@@H]1[C@@H](O)[C@H](CO)O[C@@]1([H])O[C@@H]2[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](CO)O[C@@]2([H])O[C@H]4CC[C@@]5(C)[C@](CC[C@]6(C)[C@]5([H])CC[C@@]7([H])[C@@]68C[C@@]9(OC8)[C@]7([H])[C@@](C)(O)[C@H](/C=C(C)\C)CO9)([H])C4(C)
BACOPASIDE X
CAS:94443-88-6
Formula: C46H74O17
11851
C[C@]1(CC[C@@]2([H])C3(C)C)[C@@]4(CO[C@]5(C4)[C@]6([H])[C@](O)(C)C[C@H](/C=C(C)/C)O5)[C@]6([H])CC[C@]1([H])[C@]2(CC[C@@H]3O[C@H](OC[C@H](O)[C@@H]7O[C@@H]([C@@H]([C@@H](O)[C@@H]8O)O)O[C@@H]8CO)[C@@H]7O[C@H]9[C@H](O)[C@@H](O)[C@H](CO)O9)C
BACOSIDE A3
CAS:157408-08-7
Formula: C47H76O18
11824
CC1(O)CC(/C=C(C)/C)OC2(OC3)CC43C5(C)CCC6C(C)(C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(CO)C(O)C9O)CCC6(C)C5CCC4C21
BACTENECIN (BOVINE) (TRIFLUOROACETATE SALT)
Formula: C63H118N24O13S2 • XCF3COOH
34534
O=C1[C@H](C(C)C)NC([C@@](CCCNC(N)=N)([H])NC([C@@]([C@H](CC)C)([H])NC([C@H](C(C)C)NC([C@H](C(C)C)NC([C@@]([C@@H](C)CC)([H])NC([C@@](CCCNC(N)=N)([H])NC([C@@H](NC([C@@H](NC([C@@H](N)CCCNC(N)=N)=O)CC(C)C)=O)CSSC[C@@H](C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)N1)=O)=O)=
BACTOBOLAMINE
CAS:78013-07-7
Formula: C11H15Cl2NO5
38896
[H][C@@]12[C@H]([C@@H](CC(O)=C1C(O[C@](C(Cl)Cl)([C@@H]2N)C)=O)O)O
Bactobolin A (hydrochloride)
CAS:73543-68-7
Formula: C14H20Cl2N2O6 • HCl
38912
[H][C@@]12[C@H]([C@@H](CC(O)=C1C(O[C@](C)(C(Cl)Cl)[C@@H]2NC([C@H](C)N)=O)=O)O)O.Cl
BADGE
CAS:1675-54-3
Formula: C21H24O4
70790
CC(C)(c1ccc(OCC2OC2)cc1)c1ccc(OCC2OC2)cc1
BAEOCYSTIN
CAS:21420-58-6
Formula: C11H15N2O4P
31583
O=P(O)(OC1=CC=CC2=C1C(CCNC)=CN2)O
Baeocystin-d4
Formula: C11H11D4N2O4P
37125
O=P(O)(OC1=CC=CC2=C1C(C([2H])([2H])C([2H])([2H])NC)=CN2)O
BAFETINIB
CAS:859212-16-1
Formula: C30H31F3N8O
19169
CC1=CC=C(NC(C2=CC=C(CN3CC[C@H](N(C)C)C3)C(C(F)(F)F)=C2)=O)C=C1NC4=NC=CC(C5=CN=CN=C5)=N4
BAFILOMYCIN A1
CAS:88899-55-2
Formula: C35H58O9
11038
C[C@H]([C@@](C[C@H]1O)(O[C@H](C(C)C)[C@H]1C)O)[C@H](O)[C@@H]([C@](OC(/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C2)=O)([H])[C@H](/C=C/C=C2\C)OC)C
BAFILOMYCIN D
CAS:98813-13-9
Formula: C35H56O8
19438
C[C@H](C(/C=C/[C@H](C)[C@H](O)C(C)C)=O)[C@H](O)[C@@H]([C@](OC(/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C1)=O)([H])[C@H](/C=C/C=C1\C)OC)C
BAICALEIN
CAS:491-67-8
Formula: C15H10O5
70610
OC1=CC2=C(C(C=C(C3=CC=CC=C3)O2)=O)C(O)=C1O
BAICALIN
CAS:21967-41-9
Formula: C21H18O11
19843
OC1=C(O)C(C(C=C(C2=CC=CC=C2)O3)=O)=C3C=C1O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4
Bak BH3 (72-87) (human) (trifluoroacetate salt)
Formula: C72H125N25O24 • XCF3COOH
36909
N=C(N)NCCC[C@@H](C(O)=O)NC([C@H](CC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC(O)=O)NC([C@H](CC(O)=O)NC(CNC([C@H]([C@@H](C)CC)NC([C@H]([C@@H](C)CC)NC([C@H](C)NC([C@H](CC(C)C)NC([C@H](CCC(N)=O)NC([C@H](CCCNC(N)=N)NC(CNC([C@H](C(C)C)NC([C@H](CCC(N)=O)NC(CN)=O)=O
BAKUCHIOL
CAS:10309-37-2
Formula: C18H24O
11684
OC1=CC=C(/C=C/[C@](C)(C=C)CC/C=C(C)\C)C=C1
BALAGLITAZONE
CAS:199113-98-9
Formula: C20H17N3O4S
28866
O=C1N(C)C(COC2=CC=C(CC3SC(NC3=O)=O)C=C2)=NC4=CC=CC=C41
BALICATIB
CAS:354813-19-7
Formula: C23H33N5O2
17995
CCCN1CCN(C2=CC=C(C(NC3(C(NCC#N)=O)CCCCC3)=O)C=C2)CC1
BALOFLOXACIN
CAS:127294-70-6
Formula: C20H24FN3O4
25504
CNC(C1)CCCN1C2=C(F)C=C(C(C(C(O)=O)=CN3C4CC4)=O)C3=C2OC
BALOVAPTAN
CAS:1228088-30-9
Formula: C22H24ClN5O
37329
CN1CC2=NN=C([C@]3([H])CC[C@H](CC3)OC4=CC=CC=N4)N2C5=CC=C(Cl)C=C5C1
BALOXAVIR
CAS:1985605-59-1
Formula: C24H19F2N3O4S
35125
O=C1C(N(C=C2)N([C@@H]3C4=CC=CC=C4SCC5=C(F)C(F)=CC=C53)[C@@]6([H])N1CCOC6)=C(O)C2=O
BALOXAVIR MARBOXIL
CAS:1985606-14-1
Formula: C27H23F2N3O7S
33214
O=C1N(CCOC2)[C@]2([H])N([C@H]3C4=CC=C(F)C(F)=C4CSC5=CC=CC=C53)N(C=CC6=O)C1=C6OCOC(OC)=O
BALSALAZIDE
CAS:80573-04-2
Formula: C17H15N3O6
18680
OC1=CC=C(/N=N/C2=CC=C(C(NCCC(O)=O)=O)C=C2)C=C1C(O)=O
BALSALAZIDE-D4
Formula: C17H11D4N3O6
28888
OC1=CC=C(/N=N/C2=C([2H])C([2H])=C(C(NCCC(O)=O)=O)C([2H])=C2[2H])C=C1C(O)=O
BAM-22P (8-22) (human, mouse, rat, bovine) (trifluoroacetate salt)
Formula: C91H127N25O23S • XCF3COOH
35263
OC(CNC([C@H](CC1=CC=C(O)C=C1)NC([C@H](CCCNC(N)=N)NC([C@H](CCCCN)NC([C@H](CCC(N)=O)NC([C@H](CC2=CC=C(O)C=C2)NC([C@H](CC(O)=O)NC([C@H](CCSC)NC([C@H](CC3=CNC4=CC=CC=C34)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H]5N(CCC5)C([C@H](CCCNC(N)=N)NC(CNC([C@@H](N)C(C)C)=O)=
BAM-22P (human, mouse, rat, bovine) (trifluoroacetate salt)
Formula: C130H184N38O31S2 • XCF3COOH
36723
O=C(NCC(NCC(N[C@H](C(N[C@@H](CCSC)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC6=C
BAM15
CAS:210302-17-3
Formula: C16H10F2N6O
17811
FC1=CC=CC=C1NC2=NC3=NON=C3N=C2NC4=C(F)C=CC=C4
BAM7
CAS:331244-89-4
Formula: C21H19N5O2S
14566
CCOC1=CC=CC=C1N/N=C2C(C)=NN(C3=NC(C4=CC=CC=C4)=CS3)C\2=O
BAMB-4
CAS:891025-25-5
Formula: C15H12N2O2
36583
O=C(C1=CC=C(C)C=C1)NC2=NOC3=C2C=CC=C3
BAMBUTEROL (HYDROCHLORIDE)
CAS:81732-46-9
Formula: C18H29N3O5 • HCl
17887
OC(CNC(C)(C)C)C1=CC(OC(N(C)C)=O)=CC(OC(N(C)C)=O)=C1.Cl
BAN ORL 24 (HYDROCHLORIDE)
CAS:1401463-54-4
Formula: C27H35N3O2 • 2HCl
29485
O=C([C@@H]1N(CC2=CC=CC=C2)CCC1)NCCCN3CCC4(OCC5=CC=CC=C54)CC3.Cl.Cl
BANKSIALACTONE A
CAS:1135775-06-2
Formula: C13H16O6
30000
COC1=CC(O)=C(C(OC(O)(CO)C2C)=O)C2=C1C
BAOHUOSIDE I
CAS:113558-15-9
Formula: C27H30O10
25062
O=C(C(O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)=C(C2=CC=C(OC)C=C2)O3)C4=C3C(C/C=C(C)\C)=C(O)C=C4O
BAPTA
CAS:85233-19-8
Formula: C22H24N2O10
11706
OC(CN(CC(O)=O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(O)=O)CC(O)=O)=O
BAPTA AM
CAS:126150-97-8
Formula: C34H40N2O18
15551
O=C(OCOC(C)=O)CN(CC(OCOC(C)=O)=O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O
BAR501
CAS:1632118-69-4
Formula: C26H46O3
22460
C[C@H](CCCO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
BAR501 IMPURITY
CAS:1632118-70-7
Formula: C26H46O3
22461
C[C@H](CCCO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
BAR502
CAS:1612191-86-2
Formula: C25H44O3
22462
C[C@H](CCO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
BARBITAL
CAS:57-44-3
Formula: C8H12N2O3
38267
O=C1C(CC)(CC)C(NC(N1)=O)=O
BARICITINIB
CAS:1187594-09-7
Formula: C16H17N7O2S
16707
O=S(N(C1)CC1(CC#N)N(N=C2)C=C2C3=C4C(NC=C4)=NC=N3)(CC)=O
BARNIDIPINE (HYDROCHLORIDE)
CAS:104757-53-1
Formula: C27H29N3O6 • HCl
20448
CC1=C(C(O[C@@H]2CN(CC3=CC=CC=C3)CC2)=O)[C@H](C(C(OC)=O)=C(C)N1)C4=CC([N+]([O-])=O)=CC=C4.Cl
BASMISANIL
CAS:1159600-41-5
Formula: C21H20FN3O5S
21137
O=S1(CCN(C(C2=CC=C(OCC3=C(C)ON=C3C4=CC=C(F)C=C4)N=C2)=O)CC1)=O
BASSIANIN
CAS:54278-73-8
Formula: C23H25NO5
32926
OC(C(C1=CC=C(C=C1)O)=CN2O)=C(C(/C=C/C=C/C(C)=C/C(C)CC)=O)C2=O
BASSIANOLIDE
CAS:64763-82-2
Formula: C48H84N4O12
22001
O=C([C@H](CC(C)C)N1C)O[C@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(O[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(O[C@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(O[C@H](C(C)C)C1=O)=O)=O)=O)=O)=O)=O
BATABULIN (SODIUM SALT)
CAS:195533-98-3
Formula: C13H6F6NO3S • Na
33487
O=S([N-]C1=CC=C(C(F)=C1)OC)(C2=C(F)C(F)=C(F)C(F)=C2F)=O.[Na+]
BATEFENTEROL
CAS:743461-65-6
Formula: C40H42ClN5O7
21793
ClC1=C(N([H])C(CCN2CCC(OC(N(C3=C(C4=CC=CC=C4)C=CC=C3)[H])=O)CC2)=O)C=C(OC)C(CN(C[C@H](O)C5=C(C=CC(N6[H])=O)C6=C(O)C=C5)[H])=C1
BATHOPHENANTHROLINE
CAS:1662-01-7
Formula: C24H16N2
34811
C1(C2=CC=CC=C2)=CC=NC3=C(N=CC=C4C5=CC=CC=C5)C4=CC=C13
BATIMASTAT
CAS:130370-60-4
Formula: C23H31N3O4S2
14742
O=C(N[C@@H](CC1=CC=CC=C1)C(NC)=O)[C@H](CC(C)C)[C@@H](C(NO)=O)CSC2=CC=CS2
BAVACHALCONE
CAS:28448-85-3
Formula: C20H20O4
34673
OC(C=C1)=CC=C1/C=C/C(C2=CC(C/C=C(C)\C)=C(C=C2O)O)=O
BAVACHIN
CAS:19879-32-4
Formula: C20H20O4
11685
OC1=CC(O[C@H](C2=CC=C(O)C=C2)CC3=O)=C3C=C1C/C=C(C)/C
BAVACHININ
CAS:19879-30-2
Formula: C21H22O4
19376
O=C1C[C@@H](C2=CC=C(O)C=C2)OC3=C1C=C(C/C=C(C)/C)C(OC)=C3
BAW 2881
CAS:861875-60-7
Formula: C22H15F3N4O2
18910
O=C(NC1=CC(C(F)(F)F)=CC=C1)C2=CC=CC3=C2C=CC(OC4=CC=NC(N)=N4)=C3