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Cayman Chemical Company
Country:
USA
1180 E.Ellsworth Rd.
Ann Arbor, MI 48108
800-364-9897
Phone:
800-364-9897 (Customer Service)
Phone 2:
888-526-5351 (Technical Services)
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INDOMETHACIN N-OCTYL AMIDE
CAS:282728-65-8
Formula: C27H33ClN2O3
70273
ClC1=CC=C(C(N2C(C=CC(OC)=C3)=C3C(CC(N([H])CCCCCCCC)=O)=C2C)=O)C=C1
INDOXYL SULFATE (POTASSIUM SALT)
CAS:2642-37-7
Formula: C8H6NO4S • K
16926
[O-]S(OC1=CNC2=CC=CC=C21)(=O)=O.[K+]
INDOXYL SULFATE-D5 (POTASSIUM SALT)
CAS:1644451-34-2
Formula: C8HD5NO4S • K
34511
[O-]S(OC1=C([2H])NC2=C([2H])C([2H])=C([2H])C([2H])=C21)(=O)=O.[K+]
INDY
CAS:1169755-45-6
Formula: C12H13NO2S
23895
OC1=CC=C2C(N(CC)/C(S2)=C/C(C)=O)=C1
INECALCITOL
CAS:163217-09-2
Formula: C26H40O3
37288
O[C@H](C/1)C[C@H](O)CC1=C/C=C2[C@]3([H])[C@]([C@]([C@@H](CC#CC(C)(O)C)C)([H])CC3)(C)CCC/2
INF39
CAS:866028-26-4
Formula: C12H13ClO2
28476
ClC1=CC=CC=C1CC(C(OCC)=O)=C
INFLACHROMENE
CAS:908568-01-4
Formula: C21H19N3O4
17006
OC1=CC(OC(C)(C)C2=CCN(C(N(C3=CC=CC=C3)C4=O)=O)N4C25)=C5C=C1
Inflammasome Inhibitor 4b
CAS:2768759-64-2
Formula: C16H19N2O5S • Na
37030
O=C(NS(=O)(C1=CC(C(C)(O)C)=CO1)=O)[N-]C2=CC(C)=CC(C)=C2.[Na+]
INFLUENZA HEMAGGLUTININ PEPTIDE (TRIFLUOROACETATE SALT)
CAS:92000-76-5
Formula: C53H67N9O17 • XCF3COOH
33160
OC(C=C1)=CC=C1C[C@H](NC([C@H]2N(C([C@@H](N)CC3=CC=C(O)C=C3)=O)CCC2)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N4CCC[C@H]4C(N[C@@H](CC(O)=O)C(N[C@@H](CC5=CC=C(O)C=C5)C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
ING-2 AM
CAS:1642554-49-1
Formula: C53H60Cl2N2O18
24489
O=C(C)OCOC(CCC1=CC2=C(C3=CC(OC)=C(N4CCOCCOCCN(C5=C(OC)C=C(C)C=C5)CCOCC4)C=C3)C6=CC(CCC(OCOC(C)=O)=O)=C(OCOC(C)=O)C(Cl)=C6OC2=C(C1=O)Cl)=O
INGENOL
CAS:30220-46-3
Formula: C20H28O5
14031
CC([C@@H]1O)=C[C@@]23[C@]1(O)[C@H](O)C(CO)=C[C@]([C@@]4([H])[C@@](C4(C)C)([H])C[C@H]3C)([H])C2=O
INGENOL-3-ANGELATE
CAS:75567-37-2
Formula: C25H34O6
16207
CC([C@@H]1OC(/C(C)=C\C)=O)=C[C@@]23[C@]1(O)[C@H](O)C(CO)=C[C@]([C@@]4([H])[C@@](C4(C)C)([H])C[C@H]3C)([H])C2=O
INGLIFORIB
CAS:186392-65-4
Formula: C23H24ClN3O5
38419
ClC1=CC=C2NC(C(N[C@H]([C@H](C(N3C[C@@H]([C@@H](C3)O)O)=O)O)CC4=CC=CC=C4)=O)=CC2=C1
INH1
CAS:313553-47-8
Formula: C18H16N2OS
29015
O=C(C1=CC=CC=C1)NC2=NC(C3=CC=C(C)C=C3C)=CS2
INH6
CAS:1001753-24-7
Formula: C19H18N2OS
21772
[H]N(C(C1=CC=CC=C1)=O)C2=NC(C3=C(C)C=C(C)C=C3C)=CS2
INK1117
CAS:1268454-23-4
Formula: C19H17N5O3
19514
NC1=NC2=CC(C(C=C3)=CN4C3=NC=C4C(N5CCOCC5)=O)=CC=C2O1
INK128
CAS:1224844-38-5
Formula: C15H15N7O
11811
CC(C)N1C2=NC=NC(N)=C2C(C3=CC(N=C(N)O4)=C4C=C3)=N1
INNO-8875
CAS:871108-05-3
Formula: C15H20N6O6
33345
O[C@H]1[C@](O[C@@H]([C@H]1O)CO[N+]([O-])=O)([H])N2C3=NC=NC(NC4CCCC4)=C3N=C2
INOSINE
CAS:58-63-9
Formula: C10H12N4O5
34373
O[C@H]1[C@](O[C@@H]([C@H]1O)CO)([H])N2C3=C(C(N=CN3)=O)N=C2
INOSINE 5'-TRIPHOSPHATE (SODIUM SALT)
CAS:35908-31-7
Formula: C10H12N4O14P3 • 3Na
23063
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CNC3=O)O[C@@H]1COP(OP(OP(O)([O-])=O)([O-])=O)([O-])=O.[Na+].[Na+].[Na+]
INOSINE-5'-MONOPHOSPHATE (SODIUM SALT HYDRATE)
CAS:20813-76-7
Formula: C10H11N4O8P • 2Na [8H2O]
18135
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CNC3=O)O[C@@H]1COP([O-])([O-])=O.[Na+].[Na+].O.O.O.O.O.O.O.O
Inostamycin A (sodium salt)
Formula: C38H68O11 • Na
33018
O[C@@]([C@@H](C1)C)([C@@](O[C@]2([H])[C@@H](CC)C([C@@H](C)[C@@H](O)[C@@H]([C@](O[C@@]3(O)[C@@H](CC)C(O)=O)([H])[C@H]([C@H]([C@@H]3C)O)CC)C)=O)(C[C@@H]2C)C)O[C@@]1(CC)[C@@H](O)CCC.[Na+]
INOTILONE
CAS:906366-79-8
Formula: C12H10O4
1.00101e+007
OC1=CC=C(/C=C2OC(C)=CC\2=O)C=C1O
INS3-54-A18
CAS:328998-53-4
Formula: C23H16ClNO2
39678
ClC(C=C1)=CC=C1C=C2C=C(C3=CC=CC=C3)N(C4=CC=C(O)C=C4)C2=O
INT-777
CAS:1199796-29-6
Formula: C27H46O5
17678
O[C@@H]1CC[C@@]2(C)[C@@]([C@@H](CC)[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)C[C@H](C)C(O)=O)([H])C1
INTEGRACIN A
CAS:224186-03-2
Formula: C37H56O8
23423
OC1=CC(CCCCCCC[C@H](OC(C)=O)CCC)=C(C(O[C@H](CCC)CCCCCCCC2=CC(O)=CC(O)=C2)=O)C(O)=C1
INTEGRACIN B
CAS:224186-05-4
Formula: C35H54O7
28088
OC1=CC(O)=C(C(O[C@H](CCC)CCCCCCCC2=CC(O)=CC(O)=C2)=O)C(CCCCCCC[C@@H](CCC)O)=C1
Interleukin-8 (54-72) (human) (scrambled) (trifluoroacetate salt)
Formula: C107H173N33O30 • XCF3COOH
36979
O=C([C@@H](NC(C)=O)CCCCN)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](CC1=CC=CC=C1)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](CC(C)C)C(N[C@H](C(N[C@H](C(N)=O)CO)=O)CC(N)=O)=O)=O)=O)C(C)C)=O)CCCNC(
Interleukin-8 (54-72) (human) (trifluoroacetate salt)
Formula: C107H173N33O30 • XCF3COOH
36978
O=C([C@@H](NC(C)=O)CCCCN)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(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CO)=O)CC(N)=O)=O)CCC(O)=O)=O)=O)CCCNC(
INULIN
CAS:9005-80-5
Formula: (C6H10O5)n
19229
O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@]2(O[C@H](CO)[C@@H](O)[C@@H]2O)CO[C@]3([C@@H](O)[C@H](O)[C@@H](CO)O3)CO)O
IODIXANOL
CAS:92339-11-2
Formula: C35H44I6N6O15
35020
O=C(C1=C(I)C(N(CC(CN(C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I)C(C)=O)O)C(C)=O)=C(I)C(C(NCC(CO)O)=O)=C1I)NCC(CO)O
IODOPHENPROPIT (HYDROBROMIDE)
CAS:145196-87-8
Formula: C15H19IN4S • 2HBr
32850
IC1=CC=C(CCNC(SCCCC2=CN=CN2)=N)C=C1.Br.Br
Iodorphine
Formula: C20H22IN3O
37062
CC(C1=CC=C(I)C=C1)N2CCC(N3C(NC4=C3C=CC=C4)=O)CC2
IOHEXOL
CAS:66108-95-0
Formula: C19H26I3N3O9
23753
IC1=C(C(NCC(O)CO)=O)C(I)=C(N(C(C)=O)CC(CO)O)C(I)=C1C(NCC(O)CO)=O
IOHEXOL-D5
CAS:928623-33-0
Formula: C19H21D5I3N3O9
28540
IC1=C(C(NCC(O)CO)=O)C(I)=C(N(C(C)=O)C([2H])([2H])C(C([2H])([2H])O)([2H])O)C(I)=C1C(NCC(O)CO)=O
IOMEPROL
CAS:78649-41-9
Formula: C17H22I3N3O8
36397
O=C(C1=C(I)C(N(C)C(CO)=O)=C(I)C(C(NCC(CO)O)=O)=C1I)NCC(CO)O
IONOMYCIN (CALCIUM SALT)
CAS:56092-82-1
Formula: C41H70O9 • Ca
11932
C[C@@H](O)[C@](O1)(C)CC[C@]1([H])[C@]2(C)CC[C@](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C[C@@H](C)C[C@@H](C)/C([O-])=C/C([C@@H](C)C[C@@H](C)C[C@H](C)CCC([O-])=O)=O)([H])O2.[Ca+2]
IOPROMIDE
CAS:73334-07-3
Formula: C18H24I3N3O8
18470
O=C(N(CC(O)CO)C)C1=C(I)C(C(NCC(O)CO)=O)=C(I)C(NC(COC)=O)=C1I
IOWH-032
CAS:1191252-49-9
Formula: C22H15Br2N3O4
30273
O=C(C1=NC(C2=CC(Br)=C(O)C(Br)=C2)=NO1)NCC(C=C3)=CC=C3OC4=CC=CC=C4
IOX1
CAS:5852-78-8
Formula: C10H7NO3
11572
OC(C1=C(C=CC=N2)C2=C(O)C=C1)=O
IOX4
CAS:1154097-71-8
Formula: C15H16N6O3
18181
CC(C)(C)OC(C1=CN=C(N2NC=C(N3C=CN=N3)C2=O)C=C1)=O
IP7E
CAS:500164-74-9
Formula: C23H22N2O4
29726
COCCOCC1=CC=C(C2=CC(ON=C3C4=CC=CC=C4)=C3C(N2C)=O)C=C1
IPA-3
CAS:42521-82-4
Formula: C20H14O2S2
14759
OC1=C(SSC2=C(O)C=CC3=C2C=CC=C3)C4=CC=CC=C4C=C1
Ipamorelin (acetate)
Formula: C38H49N9O5 • XC2H4O2
39813
O=C(N[C@@H](C(N[C@H](C(N)=O)CCCCN)=O)CC1=CC=CC=C1)[C@H](NC([C@@H](NC(C(N)(C)C)=O)CC2=CN=CN2)=O)CC3=CC(C=CC=C4)=C4C=C3.CC(O)=O
IPBT-5CA
CAS:306935-41-1
Formula: C10H11N3O2
15223
OC(C1=CC=C(N(C(C)C)N=N2)C2=C1)=O
IPDMB-FUBINACA
Formula: C24H28FN3O3
28930
O=C(N[C@H](C(OC(C)C)=O)C(C)(C)C)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
IPEROXO (IODIDE)
CAS:247079-84-1
Formula: C10H17N2O2 • I
27235
C[N+](C)(C)CC#CCOC1=NOCC1.[I-]
IPG-1 AM
CAS:1369302-18-0
Formula: C55H62Cl2N2O20
35542
ClC(C(C(CCC(OCOC(C)=O)=O)=C1)=O)=C2C1=C(C3=CC=C(N4CCOCCOCCN(C5=CC=C(C=O)C=C5OC)CCOCCOCC4)C(OC)=C3)C6=CC(CCC(OCOC(C)=O)=O)=C(OCOC(C)=O)C(Cl)=C6O2
IPG-1 TMA
CAS:1369302-17-9
Formula: C46H47Cl2N2O14 • 3C4H12N
35543
O=CC1=CC(OC)=C(N2CCOCCOCCN(CCOCCOCC2)C3=C(OC)C=C(C4=C5C=C(CCC([O-])=O)C(C(Cl)=C5OC6=C(C([O-])=C(CCC([O-])=O)C=C64)Cl)=O)C=C3)C=C1.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C
IPG-2 AM
CAS:1369302-24-8
Formula: C55H64Cl2N2O19
35540
O=C(C)OCOC(CCC1=CC2=C(C3=CC(OC)=C(N4CCOCCOCCN(CCOCCOCC4)C5=C(OC)C=C(C)C=C5)C=C3)C6=CC(CCC(OCOC(C)=O)=O)=C(OCOC(C)=O)C(Cl)=C6OC2=C(C1=O)Cl)=O
IPG-2 TMA
CAS:1369302-21-5
Formula: C46H49Cl2N2O13 • 3C4H12N
35533
O=C(CCC1=CC2=C(C3=CC(OC)=C(N4CCOCCOCCN(CCOCCOCC4)C5=C(OC)C=C(C)C=C5)C=C3)C6=CC(CCC([O-])=O)=C([O-])C(Cl)=C6OC2=C(C1=O)Cl)[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C
IPG-4 AM
CAS:3019514-72-5
Formula: C67H79Cl2N3O21
35541
ClC1=C2C(C(C3=CC(OCCOC)=C(N(CCOC4=C(N5CCOCCOCCN6CCOCCOCC5)C=CC(C)=C4)CCOC7=C6C=CC(C)=C7)C=C3)=C(C=C8CCC(OCOC(C)=O)=O)C(O2)=C(Cl)C8=O)=CC(CCC(OCOC(C)=O)=O)=C1OCOC(C)=O
IPG-4 TMA
Formula: C58H64Cl2N3O15 • 3C4H12N
35539
ClC1=C2C(C(C3=CC(OCCOC)=C(N(CCOC4=C(N5CCOCCOCCN6CCOCCOCC5)C=CC(C)=C4)CCOC7=C6C=CC(C)=C7)C=C3)=C(C=C8CCC([O-])=O)C(O2)=C(Cl)C8=O)=CC(CCC([O-])=O)=C1[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C
IPI-145
CAS:1201438-56-3
Formula: C22H17ClN6O
16800
C[C@@H](C1=CC(C=CC=C2Cl)=C2C(N1C3=CC=CC=C3)=O)NC4=C5C(N=CN5)=NC=N4
IPI-549
CAS:1693758-51-8
Formula: C30H24N8O2
26416
O=C(C1=C2N(C=CC=N2)N=C1N)N[C@@H](C)C(N3C4=CC=CC=C4)=CC5=CC=CC(C#CC6=CN(C)N=C6)=C5C3=O
IPIDACRINE
CAS:62732-44-9
Formula: C12H16N2
34529
NC1=C(CCC2)C2=NC3=C1CCCC3
IPN60090
CAS:1853164-83-6
Formula: C24H27F3N8O3
35855
FC1(F)CC(OC2=CC(C)=NC(CC(NC3=CC=C(CC[C@H](CN4N=NC(C(NC)=O)=C4)F)N=N3)=O)=C2)C1
IPRAGLIFLOZIN
CAS:761423-87-4
Formula: C21H21FO5S
22287
FC1=C(CC2=CC3=C(C=CC=C3)S2)C=C([C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=C1
IPRAGLIFLOZIN-13C6
Formula: C15[13C]6H21FO5S
28705
FC1=C(CC2=CC3=C(C=CC=C3)S2)C=C([13C@H]4[13C@H](O)[13C@@H](O)[13C@H](O)[13C@@H]([13CH2]O)O4)C=C1
IPRATROPIUM (BROMIDE)
CAS:22254-24-6
Formula: C20H30NO3 • Br
29423
O=C(C(CO)C1=CC=CC=C1)O[C@H]2C[C@H]3CC[C@H]([N@@+](C(C)C)3C)C2.[Br-]
IPRIFLAVONE
CAS:35212-22-7
Formula: C18H16O3
26319
O=C1C2=CC=C(OC(C)C)C=C2OC=C1C3=CC=CC=C3
IPRONIDAZOLE
CAS:14885-29-1
Formula: C7H11N3O2
35082
[O]=[N](C1=C[N]=C(C(C)C)[N]1C)=[O]
IPRONIDAZOLE-D3
CAS:1015855-83-0
Formula: C7H8D3N3O2
37194
CC(C)C([N]1C([2H])([2H])[2H])=[N]C=C1[N+]([O-])=O
IPSAPIRONE
CAS:95847-70-4
Formula: C19H23N5O3S
39918
O=S1(N(CCCCN2CCN(C3=NC=CC=N3)CC2)C(C4=C1C=CC=C4)=O)=O.Cl
Ipsapirone (hydrochloride)
CAS:92589-98-5
Formula: C19H23N5O3S • HCl
22075
O=S1(N(CCCCN2CCN(C3=NC=CC=N3)CC2)C(C4=C1C=CC=C4)=O)=O.Cl
IPSU
CAS:1373765-19-5
Formula: C23H27N5O2
30007
O=C1C2(CCN(C3=NC(OC)=CC=N3)CC2)CCCN1CC4=CNC5=CC=CC=C54
IPTG (DIOXANE FREE)
CAS:367-93-1
Formula: C9H18O5S
15300
O[C@@H]1[C@H](O)[C@@H](O)[C@H](SC(C)C)O[C@@H]1CO
IQ-1
CAS:331001-62-8
Formula: C21H22N4O2
16153
CC(N/1)(C)CC2=CC=CC=C2C1=C(\N=N\C3=CC=C(C(C)=O)C=C3)C(N)=O
IQ-1S (FREE ACID)
CAS:23146-22-7
Formula: C15H9N3O
29851
O/N=C1C2=C(C=CC=C2)C3=NC4=CC=CC=C4N=C3\1
IQA
CAS:391670-48-7
Formula: C17H12N2O3
35223
O=C(CC(C1=C(N2C3=C4C=CC=C3)C=CC=C1)=C2NC4=O)O
IR 780
CAS:207399-07-3
Formula: C36H44ClN2 • I
31632
ClC1=C(/C=C/C2=[N+](CCC)C3=C(C2(C)C)C=CC=C3)CCC/C1=C\C=C4N(CCC)C5=C(C/4(C)C)C=CC=C5.[I-]
IR 783
CAS:115970-66-6
Formula: C38H46ClN2O6S2 • Na
31633
ClC1=C(CCC/C1=C\C=C2C(C)(C)C3=CC=CC=C3N\2CCCCS([O-])(=O)=O)/C=C/C4=[N+](CCCCS([O-])(=O)=O)C5=CC=CC=C5C4(C)C.[Na+]
IRAK INHIBITOR 1
CAS:1042224-63-4
Formula: C17H19N5
36637
C1(C2=CC=CC(NC3CCNCC3)=N2)=CN=C4C=CC=CN14
IRAK INHIBITOR 6
CAS:1042672-97-8
Formula: C20H20N4O3S
33267
O=C(C1=CSC(C2=CN=CC=C2)=N1)NC3=CC=C(N4CCOCC4)C=C3OC
IRAK4 Inhibitor 1
CAS:1820787-94-7
Formula: C19H23N5O
37548
N#CC(C=C1)=CC2=C1N=CN=C2N[C@@H]3CC[C@H](CC3)N4CCOCC4
IRAK4 Inhibitor 28
CAS:2196204-23-4
Formula: C21H31N5O2
40167
N1([C@@H]2CC[C@@H](NC3=C4C(NC=C4C5CCOCC5)=NC=N3)CC2)CCOCC1
IRBESARTAN
CAS:138402-11-6
Formula: C25H28N6O
11952
CCCCC1=NC2(CCCC2)C(N1CC3=CC=C(C4=C(C5=NNN=N5)C=CC=C4)C=C3)=O
IRBESARTAN-D4
CAS:1216883-23-6
Formula: C25H24D4N6O
25509
CCCCC1=NC2(CCCC2)C(N1CC3=C([2H])C([2H])=C(C4=C(C5=NNN=N5)C=CC=C4)C([2H])=C3[2H])=O
IRBP (1-20) (human, rat) (trifluoroacetate salt)
Formula: C101H164N24O28S • XCF3COOH
36727
OC(C(F)(F)F)=O.O=C(N1CCC[C@H]1C(N[C@]([C@H](O)C)([H])C(N[C@@H](CC2=CNC=N2)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N3CCC[C@H]3C(N[C@@H](CO)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CCSC)C(N[C@H](C(N[C@@H](CCCCN[H])C(N[C@@H](C(C)C)C(N[C@H
IRBP (651-670) (human) (trifluoroacetate salt)
Formula: C91H151N25O32 • XCF3COOH
36953
CC(C)C[C@@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CCCNC(N)=N)C(N[C@]([C@H](O)C)([H])C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@@H](CCC(N)
IRIGENIN
CAS:548-76-5
Formula: C18H16O8
34676
O=C1C(C2=CC(OC)=C(OC)C(O)=C2)=COC3=CC(O)=C(C(O)=C13)OC
IRINOTECAN (HYDROCHLORIDE HYDRATE)
CAS:136572-09-3
Formula: C33H38N4O6 • HCl [3H2O]
14180
O=C(OC1=CC2=C(CC)C3=C(C(N4C3)=CC([C@@](O)(CC)C(OC5)=O)=C5C4=O)N=C2C=C1)N(CC6)CCC6N7CCCCC7.Cl
IRINOTECAN-D10 (HYDROCHLORIDE)
CAS:718612-62-5
Formula: C33H28D10N4O6 • HCl
22566
O=C(OC1=CC=C(N=C(C(N2C3)=CC([C@@](O)(CC)C(OC4)=O)=C4C2=O)C3=C5CC)C5=C1)N(CC6)CCC6N7C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C7([2H])[2H].Cl
IRL 1620 (TRIFLUOROACETATE SALT)
Formula: C86H117N17O27 • XCF3COOH
30980
OC([C@@H](NC([C@H]([C@@H](C)CC)NC([C@H]([C@@H](C)CC)NC([C@H](CC(O)=O)NC([C@H](CC(C)C)NC([C@@H](NC([C@H](C)NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](C(C)C)NC([C@H](C)NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC([C@H](CC(O)=O)NC(CCC(O)=O)=O)=O)=O)=O)=O)=O)CC(C=C2)
IROMYCIN A
CAS:213137-53-2
Formula: C19H29NO2
19621
CC1=C(O)C(CCC)=C(C/C=C(C)/C/C=C/C(C)C)NC1=O
IRSOGLADINE (MALEATE)
CAS:84504-69-8
Formula: C9H7Cl2N5 • C4H4O4
30223
ClC1=CC=C(Cl)C(C2=NC(N)=NC(N)=N2)=C1.OC(/C=C\C(O)=O)=O
ISAVUCONAZOLE
CAS:241479-67-4
Formula: C22H17F2N5OS
26211
FC(C=CC(F)=C1)=C1[C@](CN2N=CN=C2)(O)[C@@H](C)C3=NC(C4=CC=C(C#N)C=C4)=CS3
ISAVUCONAZOLE-D4
CAS:1346598-58-0
Formula: C22H13D4F2N5OS
30079
FC(C=CC(F)=C1)=C1[C@](CN2N=CN=C2)(O)[C@@H](C)C3=NC(C4=C([2H])C([2H])=C(C#N)C([2H])=C4[2H])=CS3
ISAVUCONAZONIUM (SULFATE)
CAS:946075-13-4
Formula: C35H35F2N8O5S • HO4S
23950
O=C(CNC)OCC1=C(N(C)C(OC(C)[N+]2=CN(C[C@@](C3=CC(F)=CC=C3F)(O)[C@@H](C)C4=NC(C5=CC=C(C#N)C=C5)=CS4)N=C2)=O)N=CC=C1.O=S([O-])(O)=O
ISCK03
CAS:945526-43-2
Formula: C19H21N3O2S
15781
O=S(NC1=CC=C(N2C=NC=C2)C=C1)(C3=CC=C(C(C)(C)C)C=C3)=O
ISO-BUTONITAZENE (CITRATE)
Formula: C24H32N4O3 • C6H8O7
35107
CCN(CC)CC[N]1C(CC2=CC=C(OCC(C)C)C=C2)=[N]C3=CC([N+]([O-])=O)=CC=C31.OC(CC(O)=O)(C(O)=O)CC(O)=O
ISO-ISARIIN B
CAS:1290627-99-4
Formula: C30H53N5O7
28791
O=C(N[C@@H](C(C)C)C(OC(C(C)CCCC)CC1=O)=O)[C@H](C)NC([C@H](NC([C@@H](NC(CN1)=O)C(C)C)=O)CC(C)C)=O
ISO-OLOMOUCINE
CAS:101622-50-8
Formula: C15H18N6O
13325
OCCNC1=NC(N=CN2C)=C2C(NCC3=CC=CC=C3)=N1
ISOALANTOLACTONE
CAS:470-17-7
Formula: C15H20O2
33838
C[C@]12[C@@](C(CCC2)=C)([H])C[C@@]3([H])[C@@](OC(C3=C)=O)([H])C1
ISOASTRAGALOSIDE I
CAS:84676-88-0
Formula: C45H72O16
40279
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)OC(C)=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
ISOBAVACHALCONE
CAS:20784-50-3
Formula: C20H20O4
19873
OC1=CC=C(/C=C/C(C2=C(O)C(C/C=C(C)/C)=C(O)C=C2)=O)C=C1
ISOBERGAPTEN
CAS:482-48-4
Formula: C12H8O4
34141
O=C1OC2=C(C=C1)C(OC)=CC3=C2C=CO3
ISOBUTYRYL-COENZYME A (SODIUM SALT)
Formula: C25H42N7O17P3S • XNa
27867
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(C(C)C)=O)=O)=O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.[Na]
Isobutyryl-L-carnitine (chloride)
CAS:6920-31-6
Formula: C11H22NO4 • Cl
37103
OC(C[C@@H](OC(C(C)C)=O)C[N+](C)(C)C)=O.[Cl-]
ISOBUTYRYL-L-CARNITINE-D3 (CHLORIDE)
Formula: C11H19D3NO4 • Cl
26576
OC(C[C@@H](OC(C(C)C)=O)C[N+](C)(C)C([2H])([2H])[2H])=O.[Cl-]
ISOCHLORTETRACYCLINE
CAS:514-53-4
Formula: C22H23ClN2O8
22125
O=C([C@@](C(C(C(N)=O)=C(O)[C@H]1N(C)C)=O)(O)[C@@]1([H])C2)C[C@@]2([H])[C@]3(C)OC(C4=C3C(Cl)=CC=C4O)=O
ISOCONAZOLE (NITRATE)
CAS:24168-96-5
Formula: C18H14Cl4N2O • HNO3
30100
ClC1=CC=CC(Cl)=C1COC(C2=C(Cl)C=C(Cl)C=C2)CN3C=CN=C3.[O-][N+](O)=O
ISOCORYDINE
CAS:475-67-2
Formula: C20H23NO4
30101
OC1=C2C(C[C@@]3([H])C(C2=C(OC)C(OC)=C4)=C4CCN3C)=CC=C1OC
ISOCORYNOXEINE
CAS:51014-29-0
Formula: C22H26N2O4
34653
O=C1[C@@]2(C3=CC=CC=C3N1)[C@@]4([H])N(C[C@@H]([C@H](C4)/C(C(OC)=O)=C\OC)C=C)CC2
ISOCURCUMENOL
CAS:24063-71-6
Formula: C15H22O2
30710
C=C([C@@]1([H])[C@]([C@@H](C)CC1)(O2)C/3)C[C@]2(O)C3=C(C)/C
ISOCYCLOSPORIN A
CAS:59865-16-6
Formula: C62H111N11O12
19462
CC(C/C=C/C)C(C(NC)C(NC(CC)C(N(C)CC(N(C)C(CC(C)C)C(NC(C(C)C)C(N(C)C1CC(C)C)=O)=O)=O)=O)=O)OC(C(C(C)C)N(C)C(C(CC(C)C)N(C)C(C(CC(C)C)N(C)C(C(C)NC(C(C)NC1=O)=O)=O)=O)=O)=O
ISOCYTOSINE
CAS:108-53-2
Formula: C4H5N3O
38510
O=C1C=CN=C(N1)N
ISODEOXYCHOLIC ACID
CAS:566-17-6
Formula: C24H40O4
29890
C[C@@]12[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])CCCC1
ISOFERULIC ACID
CAS:537-73-5
Formula: C10H10O4
22715
O=C(O)/C=C/C1=CC(O)=C(OC)C=C1
ISOFLAVONE
CAS:574-12-9
Formula: C15H10O2
33964
O=C1C(C2=CC=CC=C2)=COC3=CC=CC=C31
ISOFLUPREDONE
Formula: C21H27FO5
35376
F[C@]12[C@@]([C@@](CC[C@]3(O)C(CO)=O)([H])[C@]3(C)C[C@@H]2O)([H])CCC4=CC(C=C[C@@]41C)=O
ISOFLURANE
CAS:26675-46-7
Formula: C3H2ClF5O
23989
FC(OC(Cl)C(F)(F)F)F
ISOFORSKOLIN
CAS:64657-21-2
Formula: C22H34O7
11716
O=C1C[C@@](C=C)(C)O[C@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@]3([H])C(C)(C)CC[C@H](O)[C@]3(C)[C@]21O
ISOGARCINOL
CAS:71117-97-0
Formula: C38H50O6
21164
CC([C@H](C/C=C(C)/C)C[C@]1(C[C@H](C/C=C(C)/C)C(C)(C)O2)C2=C3C(C4=CC(O)=C(O)C=C4)=O)(C)[C@](C/C=C(C)\C)(C1=O)C3=O
ISOGINKGETIN
CAS:548-19-6
Formula: C32H22O10
25104
O=C1C=C(C2=CC=C(OC)C=C2)OC3=C1C(O)=CC(O)=C3C4=CC(C5=CC(C(C(O)=CC(O)=C6)=C6O5)=O)=CC=C4OC
ISOGUANINE
CAS:3373-53-3
Formula: C5H5N5O
21703
NC1=NC(NC2=C1NC=N2)=O
Isoguanosine-5'-O-diphosphate (sodium salt)
Formula: C10H12N5O11P2 • 3Na
38566
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP([O-])([O-])=O)=O)O[C@H]1N2C=NC(C(N)=N3)=C2NC3=O.[Na+].[Na+].[Na+]
Isoguanosine-5'-O-triphosphate (sodium salt)
Formula: C10H12N5O14P3 • 4Na
38567
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OP([O-])([O-])=O)([O-])=O)=O)O[C@H]1N2C=NC(C(N)=N3)=C2NC3=O.[Na+].[Na+].[Na+].[Na+]
ISOGUVACINE (HYDROCHLORIDE)
CAS:68547-97-7
Formula: C6H9NO2 • HCl
33143
O=C(C1=CCNCC1)O.Cl
ISOIMPERATORIN
CAS:482-45-1
Formula: C16H14O4
19851
O=C1OC2=C(C(OC/C=C(C)/C)=C(C=CO3)C3=C2)C=C1
ISOINDIGO
CAS:476-34-6
Formula: C16H10N2O2
33208
O=C1NC2=C(C1=C3C(NC4=C3C=CC=C4)=O)C=CC=C2
ISOKOTANIN B
CAS:154160-09-5
Formula: C23H20O8
25082
COC1=CC(OC2=C1C(C)=C(C3=C(C)C(C(OC)=CC(O4)=O)=C4C=C3O)C(OC)=C2)=O
ISOLARICIRESINOL
CAS:548-29-8
Formula: C20H24O6
36032
OC(C=CC([C@H]1C2=CC(O)=C(C=C2C[C@H]([C@@H]1CO)CO)OC)=C3)=C3OC
ISOLIQUIRITIGENIN
CAS:961-29-5
Formula: C15H12O4
10739
OC1=CC=C(C(/C=C/C2=CC=C(O)C=C2)=O)C(O)=C1
ISOLIQUIRITIN
CAS:5041-81-6
Formula: C21H22O9
30270
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CC=C(/C=C/C(C3=C(O)C=C(O)C=C3)=O)C=C2)O1
ISOLITHOCHOLIC ACID
CAS:1534-35-6
Formula: C24H40O3
29545
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
ISOMALTOSE
CAS:499-40-1
Formula: C12H22O11
20797
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@H]([C@@H](O)[C@H](O)[C@@H](O)C=O)O
ISOMENTHONE
CAS:491-07-6
Formula: C10H18O
35063
CC([C@H]1C(C[C@H](CC1)C)=O)C
ISOMERANZIN
CAS:1088-17-1
Formula: C15H16O4
35827
O=C1OC2=C(C=CC(OC)=C2CC(C(C)C)=O)C=C1
ISONANANGENINE B
CAS:1623153-14-9
Formula: C21H32O6
33518
CC1(C)CC[C@@H](O)[C@@]2(C)[C@@]1([H])[C@H](OC(CCCCC)=O)C=C3[C@]2(O)COC3=O
ISONIAZID
CAS:54-85-3
Formula: C6H7N3O
20378
O=C(NN)C1=CC=NC=C1
ISOORIENTIN
CAS:4261-42-1
Formula: C21H20O11
26862
OC1=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O)=C(C(C=C(C3=CC(O)=C(O)C=C3)O4)=O)C4=C1
Isopaynantheine
CAS:22032-51-5
Formula: C23H28N2O4
39879
COC1=CC=CC2=C1C3=C([C@](C[C@H](/C(C(OC)=O)=C\OC)[C@@H](C=C)C4)([H])N4CC3)N2
ISOPENTEDRONE (HYDROCHLORIDE)
CAS:1429402-13-0
Formula: C12H17NO • HCl
11563
O=C(CCC)C(NC)C1=CC=CC=C1.Cl
ISOPENTENYL PYROPHOSPHATE (AMMONIUM SALT)
Formula: C5H9O7P2 • 3NH4
63480
[O-]P(OP([O-])(OCCC(C)=C)=O)([O-])=O.[NH4+].[NH4+].[NH4+]
ISOPIMARIC ACID
CAS:5835-26-7
Formula: C20H30O2
34544
C[C@@]12[C@](CC=C3[C@]2([H])CC[C@@](C)(C3)C=C)([H])[C@@](C)(CCC1)C(O)=O
ISOPREGNANOLONE
CAS:516-55-2
Formula: C21H34O2
32708
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@H](CC2)O)([H])[C@@]4([H])[C@](CC3)([C@H](CC4)C(C)=O)C
ISOPRINOSINE
CAS:36703-88-5
Formula: C10H12N4O5 • 3C9H9NO3 • 3C5H13NO
16492
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C2NC=NC3=O)O1.OC(C4=CC=C(NC(C)=O)C=C4)=O.CC(O)CN(C)C.OC(C5=CC=C(NC(C)=O)C=C5)=O.CC(O)CN(C)C.OC(C6=CC=C(NC(C)=O)C=C6)=O.CC(O)CN(C)C
ISOPROPYL 5-(DIPHENYLPHOSPHORYL)PENTANOATE
CAS:2088449-88-9
Formula: C20H25O3P
1.0011e+007
CC(C)OC(=O)CCCCP(=O)(c1ccccc1)c1ccccc1
ISOPROPYL BENZENESULFONATE
CAS:6214-18-2
Formula: C9H12O3S
17795
CC(C)OS(C1=CC=CC=C1)(=O)=O
ISOPROPYL U-47700
CAS:2748319-16-4
Formula: C18H26Cl2N2O
24263
ClC1=C(Cl)C=CC(C(N(C(C)C)[C@H]2[C@H](N(C)C)CCCC2)=O)=C1
Isopropylphenidine (hydrochloride)
CAS:6267-56-7
Formula: C17H21N • HCl
39455
CC(C)NC(C1=CC=CC=C1)CC2=CC=CC=C2.Cl
ISOPROTERENOL (HYDROCHLORIDE)
CAS:51-30-9
Formula: C11H17NO3 • HCl
15592
OC1=C(O)C=C(C(O)CNC(C)C)C=C1.Cl
ISOPROTERENOL-D7 (HYDROCHLORIDE)
CAS:2517584-04-0
Formula: C11H10D7NO3 • HCl
34704
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])NCC(C1=CC(O)=C(C=C1)O)O.Cl
ISOQUERCETIN
CAS:482-35-9
Formula: C21H20O12
24926
OC1=CC(O)=C(C(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C3=CC=C(O)C(O)=C3)O4)=O)C4=C1
ISOQUERCITROSIDE
CAS:21637-25-2
Formula: C21H20O12
20802
OC1=CC(O)=C(C(C(O[C@@H]2O[C@@]([C@H](O)CO)([H])[C@H](O)[C@H]2O)=C(C3=CC=C(O)C(O)=C3)O4)=O)C4=C1
ISOQUINOLINE-3-CARBOXYLIC ACID
CAS:6624-49-3
Formula: C10H7NO2
19194
OC(C1=CC2=CC=CC=C2C=N1)=O
ISORESERPILINE
CAS:572-67-8
Formula: C23H28N2O5
31641
COC1=CC(N2)=C(C=C1OC)C3=C2[C@@]4([H])N(CC3)C[C@@]5([H])[C@H](C)OC=C(C(OC)=O)[C@@]5([H])C4
ISORHAMNETIN
CAS:480-19-3
Formula: C16H12O7
16496
OC(C=C1O)=CC2=C1C(C(O)=C(C3=CC=C(O)C(OC)=C3)O2)=O
ISORHAMNETIN 3-O-NEOHESPERIDOSIDE
CAS:55033-90-4
Formula: C28H32O16
34604
O=C(C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)=C(C3=CC=C(C(OC)=C3)O)OC4=CC(O)=C5)C4=C5O
Isorhamnetin-3-O-ß-D-Glucoside
CAS:5041-82-7
Formula: C22H22O12
35600
O=C(C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=C(C2=CC(OC)=C(C=C2)O)OC3=CC(O)=C4)C3=C4O
ISORHOIFOLIN
CAS:552-57-8
Formula: C27H30O14
34036
O=C1C2=C(O)C=C(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C=C2OC(C5=CC=C(C=C5)O)=C1
ISOSAKURANETIN
CAS:480-43-3
Formula: C16H14O5
25198
O=C1C2=C(C=C(O)C=C2O)O[C@H](C3=CC=C(OC)C=C3)C1
ISOSCOPOLETIN
CAS:776-86-3
Formula: C10H8O4
34117
O=C1OC2=C(C=C1)C=C(O)C(OC)=C2
ISOSILYBIN
CAS:72581-71-6
Formula: C25H22O10
24913
OC1=CC=C(C2OC(C=CC([C@H]3OC(C=C(O)C=C4O)=C4C([C@@H]3O)=O)=C5)=C5OC2CO)C=C1OC
ISOSINENSETIN
CAS:17290-70-9
Formula: C20H20O7
36009
O=C1C=C(C2=CC(OC)=C(OC)C=C2)OC3=C1C(OC)=CC(OC)=C3OC
ISOSORBIDE
CAS:652-67-5
Formula: C6H10O4
33197
O[C@@H]1[C@]2([H])[C@@](OC1)([H])[C@@H](CO2)O
ISOSORBIDE DINITRATE
CAS:87-33-2
Formula: C6H8N2O8
23990
[H][C@@]1([C@@H](O[N+]([O-])=O)CO2)[C@@]2([H])[C@H](O[N+]([O-])=O)CO1
ISOSTEVIOL
CAS:27975-19-5
Formula: C20H30O3
36916
C[C@]1(CCC2)[C@@](CC3)([H])[C@@](CC[C@]1([H])[C@]2(C)C(O)=O)(CC4=O)C[C@]34C
ISOTHIPENDYL (HYDROCHLORIDE)
CAS:1225-60-1
Formula: C16H19N3S • HCl
33582
CN(C)C(C)CN1C2=C(C=CC=C2)SC3=CC=CN=C13.Cl
ISOTODESNITAZENE (CITRATE)
Formula: C23H31N3O • C6H8O7
30286
CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=CC=CC=C31.OC(CC(O)=O)(C(O)=O)CC(O)=O
Isotonitazene (citrate)
Formula: C23H30N4O3 • C6H8O7
40425
CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=CC([N+]([O-])=O)=CC=C31.OC(CC(O)=O)(CC(O)=O)C(O)=O
Isotonitazene Uncyclized Intermediate
Formula: C23H32N4O4
35156
O=C(CC1=CC=C(OC(C)C)C=C1)NC2=CC([N+]([O-])=O)=CC=C2NCCN(CC)CC
ISOTONITAZENE-D7
Formula: C23H23D7N4O3
29319
CCN(CC)CCN1C(CC2=CC=C(OC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C=C2)=NC3=CC([N+]([O-])=O)=CC=C31
ISOTRETINOIN
CAS:4759-48-2
Formula: C20H28O2
21648
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(O)=O)C(C)(C)CCC1
ISOURSODEOXYCHOLIC ACID
CAS:78919-26-3
Formula: C24H40O4
34620
C[C@@]12[C@](CC[C@]2([H])[C@@H](CCC(O)=O)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4([C@](C[C@H](CC4)O)([H])C[C@@H]3O)C
ISOVALEROYLGLYCINE
CAS:16284-60-9
Formula: C7H13NO3
17581
OC(CNC(CC(C)C)=O)=O
ISOVALERYL FENTANYL (HYDROCHLORIDE)
CAS:2583550-98-3
Formula: C24H32N2O • HCl
22990
O=C(N(C1=CC=CC=C1)C2CCN(CCC3=CC=CC=C3)CC2)CC(C)C.Cl
Isovaleryl-Coenzyme A (sodium salt)
Formula: C26H44N7O17P3S • xNa
39999
O[C@H]([C@@H]1O[P](O)(O)=O)[C@@H](O[C@@H]1CO[P](O[P](OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CC(C)C)=O)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2.[Na]
ISOVALERYL-DL-CARNITINE-D3 (CHLORIDE)
Formula: C12H15D3NO4 • Cl
26573
OC(CC(C[N+](C([2H])([2H])[2H])(C)C)OC(CC(C)C)=O)=O.[Cl-]
Isovaleryl-DL-carnitine-d9 (chloride)
CAS:2608872-54-2
Formula: C12H15D9NO4 • Cl
37213
CC(C)CC(OC(CC(O)=O)C[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O.[Cl-]
ISOVALERYL-L-CARNITINE (CHLORIDE)
CAS:139144-12-0
Formula: C12H24NO4 • Cl
26555
OC(C[C@@H](OC(CC(C)C)=O)C[N+](C)(C)C)=O.[Cl-]
ISOVALERYL-L-CARNITINE-D3 (CHLORIDE)
Formula: C12H21D3NO4 • Cl
26574
OC(C[C@H](C[N+](C([2H])([2H])[2H])(C)C)OC(CC(C)C)=O)=O.[Cl-]
ISOVERBASCOSIDE
CAS:61303-13-7
Formula: C29H36O15
29216
O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](COC(/C=C/C3=CC=C(O)C(O)=C3)=O)O[C@H]1OCCC4=CC(O)=C(O)C=C4
ISOVITEXIN
CAS:38953-85-4
Formula: C21H20O10
31212
O=C1C2=C(O)C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(O)C=C2OC(C4=CC=C(O)C=C4)=C1
ISOXANTHOHUMOL
CAS:521-48-2
Formula: C21H22O5
23233
OC1=CC(OC)=C(C(CC(C2=CC=C(O)C=C2)O3)=O)C3=C1C/C=C(C)/C
ISOXANTHOPTERIN
CAS:529-69-1
Formula: C6H5N5O2
17564
O=C1C=NC(C(N=C(N)N2)=O)=C2N1
ISOXSUPRINE (HYDROCHLORIDE)
CAS:579-56-6
Formula: C18H23NO3 • HCl
20688
OC1=CC=C(C(O)C(C)NC(C)COC2=CC=CC=C2)C=C1.Cl
ISOXSUPRINE-D6 (HYDROCHLORIDE)
CAS:2706004-35-3
Formula: C18H17D6NO3 • HCl
27847
OC1=CC=C(C(O)C(C)NC(C([2H])([2H])[2H])([2H])C([2H])([2H])OC2=CC=CC=C2)C=C1.Cl
ISP-I-28
CAS:221650-34-6
Formula: C21H45NO5
9.00408e+006
NC(CO)([C@H]([C@@H](CCCCCCCCCC(CCCCCC)O)O)O)CO
ISTRADEFYLLINE-13C-D3
Formula: C19[13C]H21D3N4O4
31240
CCN(C(N1CC)=O)C2=C(N([13C]([2H])([2H])[2H])C(/C=C/C3=CC=C(OC)C(OC)=C3)=N2)C1=O
ISX-9
CAS:832115-62-5
Formula: C11H10N2O2S
16165
O=C(NC1CC1)C2=NOC(C3=CC=CS3)=C2
IT-143A
CAS:183485-32-7
Formula: C29H43NO4
30044
OC1=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)=NC(OC)=C1OC
IT-143B
CAS:183485-34-9
Formula: C28H41NO4
29960
OC1=C(C)C(C/C=C(C)/C/C=C/C(C)=C/[C@@H](C)[C@@H](O)/C(C)=C/C(C)=C/C)=NC(OC)=C1OC
IT-901
CAS:1584121-99-2
Formula: C17H14N2O4S
22298
S=C(N1)NC(/C(C1=O)=C\C2=C(OC)C=C(OC)C3=C2C=CC=C3)=O
IT1T (HYDROCHLORIDE)
CAS:1092776-63-0
Formula: C21H34N4S2 • 2HCl
28434
CC1(C)CN2C(SC=C2CS/C(NC3CCCCC3)=N/C4CCCCC4)=N1.Cl.Cl
ITACITINIB
CAS:1334298-90-6
Formula: C26H23F4N9O
27597
O=C(C1=C(F)C(C(F)(F)F)=NC=C1)N2CCC(N3CC(CC#N)(N4C=C(C5=NC=NC6=C5C=CN6)C=N4)C3)CC2
ITD 1
CAS:1099644-42-4
Formula: C27H29NO3
23326
O=C1CC(C)(C)CC2=C1C(C3=CC=C(C4=CC=CC=C4)C=C3)C(C(OCC)=O)=C(C)N2
ITE
CAS:448906-42-1
Formula: C14H10N2O3S
25355
O=C(C1=NC(C(OC)=O)=CS1)C2=CNC3=CC=CC=C32
ITF 2357
CAS:732302-99-7
Formula: C24H27N3O4 • HCl [H2O]
11045
CC[N+](CC)([H])CC1=CC=C(C=C(COC(NC2=CC=C(C(NO)=O)C=C2)=O)C=C3)C3=C1.[Cl-].O
ITH15004
CAS:2600675-12-3
Formula: C13H7Cl3N4O
33667
O=C(C1=CC=C(Cl)C=C1Cl)CN2C=NC3=C(Cl)N=CN=C23
ITI214
CAS:1642303-38-5
Formula: C29H26FN7O • H3PO4
30376
CN1C2=N[C@@]3([H])[C@@](CCC3)([H])N2C4=NN(CC5=CC=C(C6=NC(F)=CC=C6)C=C5)C(NC7=CC=CC=C7)=C4C1=O.O=P(O)(O)O
ITOPRIDE (HYDROCHLORIDE)
CAS:122892-31-3
Formula: C20H26N2O4 • HCl
31183
COC1=C(OC)C=CC(C(NCC2=CC=C(OCCN(C)C)C=C2)=O)=C1.Cl
ITRACONAZOLE
CAS:84625-61-6
Formula: C35H38Cl2N8O4
13288
O=C(N(C(C)CC)N=C1)N1C(C=C2)=CC=C2N3CCN(C4=CC=C(OC[C@]5([H])O[C@](C6=C(Cl)C=C(Cl)C=C6)(CN7N=CN=C7)OC5)C=C4)CC3
ITRACONAZOLE-D5
CAS:1217510-38-7
Formula: C35H33Cl2D5N8O4
25219
O=C(N(C(C)C([2H])([2H])C([2H])([2H])[2H])N=C1)N1C(C=C2)=CC=C2N3CCN(C4=CC=C(OC[C@]5([H])O[C@](C6=C(Cl)C=C(Cl)C=C6)(CN7N=CN=C7)OC5)C=C4)CC3
ITSA1
CAS:200626-61-5
Formula: C13H7Cl2N3O
18681
O=C(C1=C(Cl)C=C(Cl)C=C1)N2C3=CC=CC=C3N=N2
Iturin A-2
CAS:83785-07-3
Formula: C48H74N12O14
38911
O=C([C@@H](NC([C@H](NC([C@H](NC([C@@H](N1)CC(N)=O)=O)CC(C=C2)=CC=C2O)=O)CC(N)=O)=O)CCC(N)=O)N3CCC[C@@]3([H])C(N[C@@H](C(N[C@H](C(N[C@@H](CC1=O)CCCCCCCCCCC)=O)CO)=O)CC(N)=O)=O
IU1
CAS:314245-33-5
Formula: C18H21FN2O
10617
FC1=CC=C(N2C(C)=CC(C(CN3CCCC3)=O)=C2C)C=C1
IU1-47
CAS:670270-31-2
Formula: C19H23ClN2O
34095
ClC1=CC=C(C=C1)N2C(C)=CC(C(CN3CCCCC3)=O)=C2C
IVABRADINE (HYDROCHLORIDE)
CAS:148849-67-6
Formula: C27H36N2O5 • HCl
15868
CN(CCCN1CCC(C=C(OC)C(OC)=C2)=C2CC1=O)C[C@H]3CC4=C3C=C(OC)C(OC)=C4.Cl
IVABRADINE-D3 (HYDROCHLORIDE)
CAS:1217809-61-4
Formula: C27H33D3N2O5 • HCl
25711
COC(C(OC)=C1)=CC2=C1[C@H](C2)CN(C([2H])([2H])[2H])CCCN3CCC(C=C(OC)C(OC)=C4)=C4CC3=O.Cl
IVACAFTOR
CAS:873054-44-5
Formula: C24H28N2O3
15145
O=C1C(C(NC2=C(C(C)(C)C)C=C(C(C)(C)C)C(O)=C2)=O)=CNC3=CC=CC=C31
IVACAFTOR-D19
CAS:1413431-22-7
Formula: C24H9D19N2O3
28539
O=C1C(C(NC2=C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])=C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(O)=C2)=O)=CNC3=CC=CC=C31
IVERMECTIN B1A AGLYCONE
CAS:73162-95-5
Formula: C34H50O8
19442
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(CC[C@H](C)[C@]([C@H](CC)C)([H])O5)O4
IVERMECTIN B1A MONOSACCHARIDE
CAS:71837-27-9
Formula: C41H62O11
19443
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(CC[C@H](C)[C@]([C@H](CC)C)([H])O6)O5
IVERMECTIN B1B
CAS:70209-81-3
Formula: C47H72O14
23824
C/C([C@@H](O[C@@]1([H])C[C@H](OC)[C@@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](OC)C2)[C@H](C)O1)[C@@H](C)/C=C/C=C(CO3)/[C@@]([C@@]3([H])[C@H](O)C(C)=C4)(O)[C@]4([H])C5=O)=C\C[C@]6([H])C[C@@](O5)([H])C[C@]7(CC[C@H](C)[C@](C(C)C)([H])O7)O6
IWP-12
CAS:688353-45-9
Formula: C18H18N4O2S3
22729
O=C(CSC(N1C)=NC2=C(SC(C)C2)C1=O)NC3=NC4=C(C=C(C)C=C4)S3
IWP-2
CAS:686770-61-6
Formula: C22H18N4O2S3
13951
O=C(CSC(N1C2=CC=CC=C2)=NC3=C(SCC3)C1=O)NC4=NC5=C(C=C(C)C=C5)S4
IWP-2-V2
CAS:877618-79-6
Formula: C23H20N4O2S3
13952
O=C(CSC(N1CC2=CC=CC=C2)=NC3=C(SCC3)C1=O)NC4=NC5=C(C=C(C)C=C5)S4
IWP-3
CAS:687561-60-0
Formula: C22H17FN4O2S3
13953
O=C(CSC(N1C2=CC=C(F)C=C2)=NC3=C(SCC3)C1=O)NC4=NC5=C(C=C(C)C=C5)S4
IWP-4
CAS:686772-17-8
Formula: C23H20N4O3S3
13954
O=C(CSC(N1C2=CC=CC=C2OC)=NC3=C(SCC3)C1=O)NC4=NC5=C(C=C(C)C=C5)S4
IWP-L6
CAS:1427782-89-5
Formula: C25H20N4O2S2
15243
O=C1C2=C(CCS2)N=C(SCC(NC3=NC=C(C4=CC=CC=C4)C=C3)=O)N1C5=CC=CC=C5
IWP-O1
CAS:2074607-48-8
Formula: C26H20N6O
38418
O=C(CN1N=NC(C2=CC=NC=C2)=C1C3=CC=CC=C3)NC4=CC=C(C5=CC=CC=C5)C=N4
IWR-1-ENDO
CAS:1127442-82-3
Formula: C25H19N3O3
13659
[H][C@@]12[C@@](C(N(C3=CC=C(C(NC4=CC=CC5=C4N=CC=C5)=O)C=C3)C2=O)=O)([H])[C@@H]6C=C[C@H]1C6
IWR-1-EXO
CAS:1127442-87-8
Formula: C25H19N3O3
13598
[H][C@]12[C@](C(N(C3=CC=C(C(NC4=CC=CC5=C4N=CC=C5)=O)C=C3)C2=O)=O)([H])[C@@H]6C=C[C@H]1C6
IXA4
CAS:1185329-96-7
Formula: C24H28N4O4
36788
O=C(N(C)CCOC1=CC=C(C)C=C1)CN2N=CC(NC(CCOC3=CC=CC=C3)=O)=C2
J27644
Formula: C16H12ClN3O4
39469
O=C(C1=CC=CC(Cl)=C1N2CC3=CC=C(C(NO)=O)C=C3)NC2=O
JACARIC ACID METHYL ESTER
Formula: C19H32O2
27098
CCCCC/C=C\C=C\C=C/CCCCCCC(OC)=O
JACEOSIDIN
CAS:18085-97-7
Formula: C17H14O7
19758
OC1=C(OC)C(O)=C(C(C=C(C2=CC=C(O)C(OC)=C2)O3)=O)C3=C1
JAK Inhibitor 31
CAS:2891469-99-9
Formula: C19H26N8S
39387
CC1=C(N2CC(N3CCN(C)CC3)(CC#N)C2)N=C(NC4=CC(C)=NS4)N=C1
JAK INHIBITOR I
CAS:457081-03-7
Formula: C18H16FN3O
15146
O=C1NC=CC2=C1C(C=C(F)C=C3)=C3C4=C2NC(C(C)(C)C)=N4
JAK2 INHIBITOR V
CAS:195371-52-9
Formula: C23H24N2O
17684
O=C(C(CCC1=CC=CC=N1)(CCC2=NC=CC=C2)C)C3=CC=CC=C3
JAK3-IN-2
CAS:1443235-95-7
Formula: C19H18N4O3
37344
O=C(C1=CNC2=NC=NC(C3=CC(NC(C(C)=C)=O)=CC=C3)=C21)OCC
JANTHITREM A
CAS:73561-89-4
Formula: C37H47NO6
30166
CC1(C)[C@@](C2=CC(C)(C)O1)([H])[C@H](O)C(C2=C3)=CC4=C3NC5=C4C[C@@]6([H])[C@@]5(C)[C@](CC[C@@]7([H])[C@]8(O9)[C@H]9[C@@H](O)[C@@H](C(C)=C)O7)(C)[C@@]8(O)CC6
JASMONIC ACID METHYL ESTER
CAS:39924-52-2
Formula: C13H20O3
9.00006e+006
O=C1C(CC=CCC)C(CC(OC)=O)CC1
JASPLAKINOLIDE
CAS:102396-24-7
Formula: C36H45BrN4O6
11705
C/C(C[C@H](C)C(N[C@@H](C)C(N(C)[C@H](CC1=C(Br)NC2=C1C=CC=C2)C(N[C@@H](C3=CC=C(O)C=C3)C4)=O)=O)=O)=C\[C@H](C)C[C@H](C)OC4=O
JATRORRHIZINE (CHLORIDE)
CAS:6681-15-8
Formula: C20H20NO4 • Cl
27314
COC1=CC=C2C(C=[N+](CCC3=C4C=C(OC)C(O)=C3)C4=C2)=C1OC.[Cl-]
JBSNF-000088
CAS:7150-23-4
Formula: C7H8N2O2
29920
NC(C1=CC=C(OC)N=C1)=O
JC-1
CAS:3520-43-2
Formula: C25H27Cl4N4 • I
15003
CCN(C(C=C(Cl)C(Cl)=C1)=C1N/2CC)C2=C/C=C/C3=[N+](CC)C4=C(C=C(Cl)C(Cl)=C4)N3CC.[I-]
JCP174
CAS:126062-19-9
Formula: C12H12ClNO3
21866
NC1=CC=C2C(C(OC(OCCC)=C2Cl)=O)=C1
JCP251
CAS:62252-26-0
Formula: C10H8ClNO3
28712
NC1=CC=C2C(C(OC(OC)=C2Cl)=O)=C1
JDQ443
CAS:2653994-08-0
Formula: C29H28ClN7O
38157
CC1=C(C2=C(C=NN3)C3=CC(C)=C2Cl)C(C4=CC(C=NN5C)=C5C=C4)=NN1C6CC7(CN(C(C=C)=O)C7)C6
JFD00244
CAS:96969-83-4
Formula: C30H26N2O4
14648
O=C(C1=C2C(NCCC3=CC=C(O)C=C3)=CC=C1NCCC4=CC=C(O)C=C4)C5=C(C=CC=C5)C2=O
JG-98
CAS:1456551-16-8
Formula: C24H21ClN3OS3 • Cl
38337
CN1/C(SC2=C1C=CC(Cl)=C2)=C3S/C(N(CC)C\3=O)=C\C4=[N+](CC5=CC=CC=C5)C=CS4.[Cl-]
JGB1741
CAS:1256375-38-8
Formula: C27H24N2O2S
10641
OC1=C(/C=N/C2=C(C(NCC3=CC=CC=C3)=O)C(CCCC4)=C4S2)C(C=CC=C5)=C5C=C1
JH-II-127
CAS:1700693-08-8
Formula: C19H21ClN6O3
22905
O=C(C1=CC(OC)=C(NC2=NC(NC)=C(C(Cl)=CN3)C3=N2)C=C1)N4CCOCC4
JHU37152
CAS:2369979-67-7
Formula: C19H20ClFN4
39532
FC1=CC=CC2=C1C(N3CCN(CC3)CC)=NC4=CC(Cl)=CC=C4N2
JHU37160
CAS:2369979-68-8
Formula: C19H20ClFN4
39531
FC1=CC=CC2=C1NC3=CC=C(Cl)C=C3N=C2N4CCN(CC4)CC
JI-101
CAS:900573-88-8
Formula: C22H20BrN5O2
36405
O=C(NC1=CC(Br)=CC=C1OC)NC2=CC=CC3=C2C=CN3CC4=CC=NC(N)=C4
JIB-04
CAS:199596-05-9
Formula: C17H13ClN4
15338
ClC(C=C1)=CN=C1N/N=C(C2=CC=CC=C2)/C3=CC=CC=N3
JJH260
CAS:1831135-30-8
Formula: C29H34ClN5O5
19384
CN(C)C(C=C1)=CC=C1C(N2CCN(C(N(OC(N3CCC(CCC4=CC=C(Cl)C=C4)CC3)=O)C5=O)=O)C5C2)=O
JK 184
CAS:315703-52-7
Formula: C19H18N4OS
15265
CCOC1=CC=C(NC2=NC(C3=C(C)N=C4N3C=CC=C4)=CS2)C=C1
JK-P3
CAS:942655-44-9
Formula: C18H17N3O3
37555
O=C(C1=CC=C(C(OC)=C1)OC)NC2=NNC(C3=CC=CC=C3)=C2
JKE-1674
CAS:2421119-60-8
Formula: C20H20Cl2N4O4
30784
O=C(C(C[N+]([O-])=O)=NO)N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1
JKE-1716
CAS:2421118-05-8
Formula: C20H20Cl2N4O4
30786
O=C(CC([N+]([O-])=O)=NO)N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1
JNJ-0966
CAS:315705-75-0
Formula: C16H16N4O2S2
31781
COC1=C(C=CC=C1)NC2=NC(C3=C(C)N=C(NC(C)=O)S3)=CS2
JNJ-10181457 (HYDROCHLORIDE)
CAS:544707-20-2
Formula: C20H28N2O • 2HCl
11997
N1(CC2=CC=CC(C#CCCN3CCCCC3)=C2)CCOCC1
JNJ-10198409
CAS:627518-40-5
Formula: C18H16FN3O2
1.00081e+007
COc1cc2c(Cc3c(n[nH]c23)Nc2cccc(F)c2)cc1OC
JNJ-10229570
CAS:524923-88-4
Formula: C22H19N3O2S
37768
COC1=CC=CC=C1C(N(C2=CC=CC=C2OC)S3)=NC3=NC4=CC=CC=C4
JNJ-10397049
CAS:708275-58-5
Formula: C19H20Br2N2O3
14139
BrC1=CC(Br)=C(NC(N[C@@H]2[C@H](C3=CC=CC=C3)OC(C)(C)OC2)=O)C=C1
JNJ-16259685
CAS:409345-29-5
Formula: C20H23NO3
35377
CO[C@@H]1CC[C@H](C(C2=CC(C=C(CCCO3)C3=N4)=C4C=C2)=O)CC1
JNJ-1661010
CAS:681136-29-8
Formula: C19H19N5OS
14497
O=C(NC1=CC=CC=C1)N2CCN(C3=NC(C4=CC=CC=C4)=NS3)CC2
JNJ-26481585 (hydrochloride)
CAS:875320-31-3
Formula: C21H26N6O2 • 2HCl
14088
CN(C1=C2C=CC=C1)C=C2CNCC3CCN(C4=NC=C(C(NO)=O)C=N4)CC3.Cl.Cl
JNJ-26854165
CAS:881202-45-5
Formula: C21H20N4
16259
C1(NC2=CC=C(NCCC3=CNC4=C3C=CC=C4)C=C2)=CC=NC=C1
JNJ-303
CAS:878489-28-2
Formula: C21H29ClN2O4S
37345
O=C(C(C)(C)OC(C=C1)=CC=C1Cl)N[C@@H]([C@@H]2C3)[C@H](C[C@@H]4C2)C[C@@]3(C4)N[S](C)(=O)=O
JNJ-31020028
CAS:1094873-14-9
Formula: C34H36FN5O2
18407
O=C(NC1=CC=C(N2CCN(C(C(N(CC)CC)=O)C3=CC=CC=C3)CC2)C(F)=C1)C4=CC=CC=C4C5=CN=CC=C5
JNJ-37822681 (hydrochloride)
CAS:2108806-02-4
Formula: C17H17F5N4 • 2HCl
37428
FC1=CC=C(CN2CCC(CC2)NC3=CC=C(C(F)(F)F)N=N3)C=C1F.Cl.Cl
JNJ-38877605
CAS:943540-75-8
Formula: C19H13F2N7
27650
FC(C1=NN=C2N1N=C(C3=CN(C)N=C3)C=C2)(F)C4=CC5=C(C=C4)N=CC=C5
JNJ-42041935
CAS:1193383-09-3
Formula: C12H6ClF3N4O3
14316
ClC1=CC2=C(NC(N3C=C(C(O)=O)C=N3)=N2)C=C1OC(F)(F)F
JNJ-42153605
CAS:1254977-87-1
Formula: C22H23F3N4
21984
FC(C1=C(C=CN2C1=NN=C2CC3CC3)N(CC4)CCC4C5=CC=CC=C5)(F)F
JNJ-42165279
CAS:1346528-50-4
Formula: C18H17ClF2N4O3
19987
ClC1=CC=NC=C1NC(N2CCN(CC3=CC=C(OC(F)(F)O4)C4=C3)CC2)=O
JNJ-42226314
CAS:1252765-13-1
Formula: C26H24FN5O2S
41115
O=C(N1CCN(C2CN(C2)C(C3=CC(C=CN4C5=CC=C(C=C5)F)=C4C=C3)=O)CC1)C6=NC=CS6
JNJ-42756493
CAS:1346242-81-6
Formula: C25H30N6O2
21813
COC1=CC(OC)=CC(N(CCNC(C)C)C2=CC=C(N=CC(C3=CN(C)N=C3)=N4)C4=C2)=C1
JNJ-47965567
CAS:1428327-31-4
Formula: C28H32N4O2S
21895
O=C(C1=CC=CN=C1SC2=CC=CC=C2)NCC3(CCOCC3)N(CC4)CCN4C5=CC=CC=C5
JNJ-5207787
CAS:683746-68-1
Formula: C32H38N4O2
13947
O=C(/C=C/C1=CC=CC(C#N)=C1)N(C2=CC=C(CCN3C(C)=O)C3=C2)C4CCN(CCC5CCCC5)CC4
JNJ-53718678
CAS:1383450-81-4
Formula: C21H20ClF3N4O3S
31720
O=C1N(CC2=CC3=C(N2CCCS(C)(=O)=O)C=CC(Cl)=C3)C4=C(N1CC(F)(F)F)C=CN=C4O=C1N(CC2=CC3=C(N2CCCS(C)(=O)=O)C=CC(Cl)=C3)C4=C(N1CC(F)(F)F)C=CN=C4
JNJ-55511118
CAS:2036081-86-2
Formula: C14H8ClF3N2O2
29212
ClC1=C(C2=CC(NC(N3)=O)=C3C=C2)C(OC(F)(F)F)=CC=C1
JNJ-632
CAS:1572510-42-9
Formula: C18H19FN2O4S
26325
O=S(C1=CC=CC(C(NC2=CC=C(F)C(C)=C2)=O)=C1)(N[C@@H]3COCC3)=O
JNJ-63533054
CAS:1802326-66-4
Formula: C17H17ClN2O2
23450
ClC1=CC=CC(C(NCC(N[C@@H](C)C2=CC=CC=C2)=O)=O)=C1
JNJ-64619178
CAS:2086772-26-9
Formula: C22H23BrN6O2
29231
O[C@H]1[C@@H](O)[C@@](N2C=CC3=C(N)N=CN=C32)([H])C[C@@H]1CCC4=CC=C(C=C(Br)C(N)=N5)C5=C4
JNJ-7706621
CAS:443797-96-4
Formula: C15H12F2N6O3S
18494
NS(C1=CC=C(NC2=NN(C(C3=C(F)C=CC=C3F)=O)C(N)=N2)C=C1)(=O)=O
JNJ-7777120
CAS:459168-41-3
Formula: C14H16ClN3O
1.00119e+007
ClC1=CC=C(NC(C(N2CCN(C)CC2)=O)=C3)C3=C1
JNJ-9350
CAS:326923-09-5
Formula: C25H22N6O
41171
O=C(C1=NN2C(C3=CC=CC=C3)=CC(C4=CC=CC=C4)=NC2=C1)NCCCN5C=NC=C5
JNK INHIBITOR IX
CAS:312917-14-9
Formula: C20H16N2OS
15624
O=C(C1=CC=CC2=C1C=CC=C2)NC3=C(C#N)C4=C(S3)CCCC4
JNK INHIBITOR V
CAS:345987-15-7
Formula: C20H16N6S
17542
N#CC(C1=NC(NCCC2=CC=CN=C2)=NC=C1)C3=NC4=CC=CC=C4S3
JNK INHIBITOR VII
CAS:1408064-71-0
Formula: C28H27N7O2
28831
CN(C)C/C=C/C(NC1=CC=CC(C(NC2=CC=C(NC3=NC=CC(C4=CC=CN=C4)=N3)C=C2)=O)=C1)=O
JNK INHIBITOR VIII
CAS:894804-07-0
Formula: C18H20N4O4
15946
COC1=CC(CC(NC2=CC(N)=C(C#N)C(OCC)=N2)=O)=C(OC)C=C1
JNK INHIBITOR XVI
CAS:1410880-22-6
Formula: C29H29N7O2
18096
CN(C)C/C=C/C(NC1=CC=CC(C(NC2=CC=C(NC3=NC=CC(C4=CN=CC=C4)=N3)C(C)=C2)=O)=C1)=O
JOSAMYCIN
CAS:16846-24-5
Formula: C42H69NO15
29606
CO[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)[C@H](O[C@H]3C[C@](O)(C)[C@@H](OC(CC(C)C)=O)[C@H](C)O3)[C@@H](C)O2)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(C[C@H]1OC(C)=O)=O
JP-1302 (HYDROCHLORIDE HYDRATE)
Formula: C24H24N4 • 2HCl [XH2O]
25974
CN1CCN(C2=CC=C(NC3=C(C=CC=C4)C4=NC5=C3C=CC=C5)C=C2)CC1.Cl.Cl.O
JP104
CAS:887264-45-1
Formula: C25H30N2O3
1.00087e+007
NC(C1=CC(C2=CC=CC(OC(NCCCCCCCCCC#C)=O)=C2)=CC=C1)=O
JP83
CAS:887264-44-0
Formula: C26H28N2O3
1.00087e+007
O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)c1cccc(c1)C(=O)N
JPC0323
CAS:5972-45-2
Formula: C22H43NO4
39470
O=C(NC(CO)(CO)CO)CCCCCCC/C=C\CCCCCCCC
JPH203
CAS:1037592-40-7
Formula: C23H19Cl2N3O4
29715
NC1=CC(COC2=C(Cl)C=C(C[C@H](N)C(O)=O)C=C2Cl)=C3C(N=C(C4=CC=CC=C4)O3)=C1
JPH203 (hydrochloride)
CAS:1597402-27-1
Formula: C23H19Cl2N3O4 • 2HCl
36053
ClC(C=C(C=C1Cl)C[C@H](N)C(O)=O)=C1OCC2=C3C(N=C(C4=CC=CC=C4)O3)=CC(N)=C2.Cl.Cl
JQAD1
CAS:2417097-18-6
Formula: C48H52F4N6O9
39566
O=C(N1C2C(NC(CC2)=O)=O)C3=CC=C(C=C3C1=O)NCCCCCCCCCCCC(NC4=CC=C5C(CC[C@@]56OC(N(C6=O)CC(N(CC7=CC=C(F)C=C7)[C@H](C(F)(F)F)C)=O)=O)=C4)=O
JQEZ5
CAS:1913252-04-6
Formula: C30H38N8O2
27457
CN1CCN(C2=NC=C(C3=CC(C(NCC4=C(CCC)C=C(C)NC4=O)=O)=C(C=NN5C(C)C)C5=N3)C=C2)CC1
JS-K
CAS:205432-12-8
Formula: C13H16N6O8
21225
O=[N](N1CCN(C(OCC)=O)CC1)=NOC(C=CC([N+]([O-])=O)=C2)=C2[N+]([O-])=O
JSH-23
CAS:749886-87-1
Formula: C16H20N2
15036
CC1=CC=C(NCCCC2=CC=CC=C2)C(N)=C1
JT010
CAS:917562-33-5
Formula: C16H19ClN2O3S
29732
ClCC(N(C1=NC(C2=CC=C(OC)C=C2)=CS1)CCCOC)=O
JTC 801
CAS:244218-51-7
Formula: C26H25N3O2 • HCl
21254
CC1=NC2=CC=C(NC(C3=C(COC4=CC=C(CC)C=C4)C=CC=C3)=O)C=C2C(N)=C1.Cl
JTE-607
CAS:188791-09-5
Formula: C25H31Cl2N3O5 • 2HCl
36942
CCOC([C@H](CC1=CC=CC=C1)NC(C2=C(C(Cl)=C(C(Cl)=C2)OCCN3CCN(CC3)C)O)=O)=O.Cl.Cl
JTE-907
CAS:282089-49-0
Formula: C24H26N2O6
1.00099e+007
O=C1NC2=C(OCCCCC)C(OC)=CC=C2C=C1C(NCC3=CC=C(OCO4)C4=C3)=O
JUGLANIN
CAS:5041-67-8
Formula: C20H18O10
39824
O=C(C(O[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O1)=C(C2=CC=C(C=C2)O)OC3=CC(O)=C4)C3=C4O
Jun9-72-2
CAS:2657659-42-0
Formula: C20H21NO
37195
OC(C=C1)=CC=C1CN(C)[C@@H](C2=CC=CC3=C2C=CC=C3)C
JW 55
CAS:664993-53-7
Formula: C25H26N2O5
16260
O=C(NCC1(C2=CC=C(OC)C=C2)CCOCC1)C3=CC=C(NC(C4=CC=CO4)=O)C=C3
JW 74
CAS:863405-60-1
Formula: C24H20N6O2S
19124
CC(C=C1)=CC=C1C2=NOC(CSC3=NN=C(C4=CC=NC=C4)N3C5=CC=C(OC)C=C5)=N2
JWH 015-D7
CAS:1346601-16-8
Formula: C23H14D7NO
10660
O=C(C1=C(C)N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
JWH 018 2'-NAPHTHYL-N-(1,2-DIMETHYLPROPYL) ISOMER
Formula: C24H23NO
9.00101e+006
O=C(C1=CN(C(C(C)C)C)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 2'-NAPHTHYL-N-(2,2-DIMETHYLPROPYL) ISOMER
CAS:1869954-38-0
Formula: C24H23NO
9.00101e+006
CC(C)(C)CN1C2=CC=CC=C2C(C(C3=CC=C(C=CC=C4)C4=C3)=O)=C1
JWH 018 2’-NAPHTHYL-N-(1-ETHYLPROPYL) ISOMER
CAS:1869959-37-4
Formula: C24H23NO
11586
O=C(C1=CN(C(CC)CC)C2=C1C=CC=C2)C3=CC=C(C=CC=C4)C4=C3
JWH 018 5-HYDROXYINDOLE METABOLITE
CAS:1307803-43-5
Formula: C24H23NO2
9.00085e+006
O=C(C1=CN(CCCCC)C2=C1C=C(O)C=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 6-HYDROXYINDOLE METABOLITE
CAS:1307803-44-6
Formula: C24H23NO2
9.00085e+006
O=C(C1=CN(CCCCC)C2=C1C=CC(O)=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 7-HYDROXYINDOLE METABOLITE
CAS:1307803-45-7
Formula: C24H23NO2
9.00085e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2O)C3=C4C(C=CC=C4)=CC=C3
JWH 018 8-QUINOLINYL CARBOXAMIDE
CAS:1400742-39-3
Formula: C23H23N3O
14891
O=C(NC1=C(N=CC=C2)C2=CC=C1)C3=CN(CCCCC)C4=C3C=CC=C4
JWH 018 ADAMANTYL ANALOG
CAS:1345973-49-0
Formula: C24H31NO
9.0008e+006
CCCCCN1C2=CC=CC=C2C(C([C@@]3(C4)CC5CC4CC(C5)C3)=O)=C1
JWH 018 BENZIMIDAZOLE ANALOG
CAS:2316839-70-8
Formula: C23H22N2O
15074
O=C(C1=C(C=CC=C2)C2=CC=C1)C3=NC4=C(C=CC=C4)N3CCCCC
JWH 018 N-(1,1-DIMETHYLPROPYL) ISOMER
CAS:1358118-35-0
Formula: C24H23NO
9.001e+006
O=C(C1=CN(C(CC)(C)C)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-(1,2-DIMETHYLPROPYL) ISOMER
CAS:1427325-40-3
Formula: C24H23NO
9.001e+006
O=C(C1=CN(C(C(C)C)C)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-(1-ETHYLPROPYL) ISOMER
CAS:2283389-75-1
Formula: C24H23NO
11585
O=C(C1=CN(C(CC)CC)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-(2,2-DIMETHYLPROPYL) ISOMER
CAS:1427325-47-0
Formula: C24H23NO
9.001e+006
CC(C)(C)CN1C2=CC=CC=C2C(C(C3=CC=CC4=C3C=CC=C4)=O)=C1
JWH 018 N-(4-OXO-PENTYL) METABOLITE
CAS:2748474-41-9
Formula: C24H21NO2
13889
O=C(C1=C2C(C=CC=C2)=CC=C1)C3=CN(CCCC(C)=O)C4=CC=CC=C43
JWH 018 N-(5-BROMOPENTYL) ANALOG
CAS:1445578-62-0
Formula: C24H22BrNO
11047
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCBr)C4=CC=CC=C43
JWH 018 N-(5-CHLOROPENTYL) ANALOG
CAS:1445578-56-2
Formula: C24H22ClNO
10521
O=C(C1=CN(CCCCCCl)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-(5-HYDROXYPENTYL) METABOLITE
CAS:335161-21-2
Formula: C24H23NO2
9.00086e+006
O=C(C1=CN(CCCCCO)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-(5-hydroxypentyl) ß-D-Glucuronide
CAS:1307803-55-9
Formula: C30H31NO8
10958
O=C(C1=CN(CCCCCO[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C3=C1C=CC=C3)C4=C5C(C=CC=C5)=CC=C4
JWH 018 N-PENTANOIC ACID METABOLITE
CAS:1254475-87-0
Formula: C24H21NO3
9.00086e+006
O=C(C1=CN(CCCCC(O)=O)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-PENTANOIC ACID METABOLITE-D5
CAS:2748533-42-6
Formula: C24H16D5NO3
11748
O=C(C1=C([2H])N(CCCCC(O)=O)C2=C1C([2H])=C([2H])C([2H])=C2[2H])C3=C4C(C=CC=C4)=CC=C3
JWH 018 N-Pentanoic Acid ß-D-Glucuronide
CAS:1307803-54-8
Formula: C30H29NO9
10957
O=C(C1=CN(CCCCC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)C3=C1C=CC=C3)C4=C5C(C=CC=C5)=CC=C4
JWH 018 N-PROPANOIC ACID METABOLITE
CAS:1451369-32-6
Formula: C22H17NO3
14646
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCC(O)=O)C4=C3C=CC=C4
JWH 019
CAS:209414-08-4
Formula: C25H25NO
13633
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCC)C4=CC=CC=C43
JWH 019 5-HYDROXYINDOLE METABOLITE
CAS:1379604-70-2
Formula: C25H25NO2
9.00076e+006
O=C(C1=CN(CCCCCC)C2=C1C=C(O)C=C2)C3=CC=CC4=C3C=CC=C4
JWH 019 N-(5-HYDROXYHEXYL) METABOLITE
CAS:1435934-47-6
Formula: C25H25NO2
14814
O=C(C1=CN(CCCCC(O)C)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
JWH 019 N-(6-HYDROXYHEXYL) METABOLITE
CAS:1435934-29-4
Formula: C25H25NO2
9.00077e+006
O=C(C1=CN(CCCCCCO)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
JWH 019 N-(6-hydroxyhexyl) ß-D-Glucuronide
CAS:1630023-00-5
Formula: C31H33NO8
11466
O=C(C1=CN(CCCCCCO[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C3=C1C=CC=C3)C4=C5C(C=CC=C5)=CC=C4
JWH 020
CAS:209414-09-5
Formula: C26H27NO
10850
O=C(C1=CN(CCCCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=CC=C3
JWH 071
CAS:209414-05-1
Formula: C21H17NO
13890
O=C(C1=CN(CC)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 072
CAS:209414-06-2
Formula: C22H19NO
9.0012e+006
O=C(C1=CN(CCC)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 073
CAS:208987-48-8
Formula: C23H21NO
10904
CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
JWH 073 2'-NAPHTHYL ISOMER
Formula: C23H21NO
9.00101e+006
CCCCN1C2=CC=CC=C2C(C(C3=CC=CC4=C3C=CC=C4)=O)=C1
JWH 073 2'-NAPHTHYL-N-(2-METHYLPROPYL) ISOMER
Formula: C23H21NO
9.00102e+006
CC(C)CN1C2=CC=CC=C2C(C(C3=CC=C(C=CC=C4)C4=C3)=O)=C1
JWH 073 2-HYDROXYINDOLE METABOLITE
CAS:1427325-54-9
Formula: C23H21NO2
10633
O=C(C1=C(O)N(CCCC)C2=CC=CC=C21)C3=CC=CC4=C3C=CC=C4
JWH 073 4-METHYLNAPHTHYL ANALOG
CAS:1354631-21-2
Formula: C24H23NO
9.00108e+006
O=C(C1=CN(CCCC)C2=C1C=CC=C2)C3=CC=C(C)C4=CC=CC=C43
JWH 073 6-HYDROXYINDOLE METABOLITE
CAS:1307803-48-0
Formula: C23H21NO2
9.00086e+006
O=C(C1=CN(CCCC)C2=C1C=CC(O)=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 073 6-METHOXYINDOLE ANALOG
CAS:1869980-05-1
Formula: C24H23NO2
14084
O=C(C1=CN(CCCC)C2=C1C=CC(OC)=C2)C3=CC=CC4=C3C=CC=C4
JWH 073 N-(4-HYDROXYBUTYL) METABOLITE
CAS:335161-14-3
Formula: C23H21NO2
9.00087e+006
O=C(C1=CN(CCCCO)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 073 N-BUTANOIC ACID METABOLITE
CAS:1307803-52-6
Formula: C23H19NO3
9.00087e+006
O=C(C1=CN(CCCC(O)=O)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
JWH 080
CAS:210179-44-5
Formula: C24H23NO2
14013
O=C(C1=CN(CCCC)C2=C1C=CC=C2)C3=CC=C(OC)C4=C3C=CC=C4
JWH 081
CAS:210179-46-7
Formula: C25H25NO2
10579
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=CC=C(OC)C4=CC=CC=C43
JWH 081 2-METHOXYNAPHTHYL ISOMER
CAS:824960-76-1
Formula: C25H25NO2
9.00104e+006
CCCCCN1C=C(C(C2=C(OC)C=CC3=C2C=CC=C3)=O)C4=CC=CC=C41
JWH 081 4-HYDROXYNAPHTHYL METABOLITE
CAS:1393345-76-0
Formula: C24H23NO2
14347
O=C(C1=CC=C(O)C2=C1C=CC=C2)C3=CN(CCCCC)C4=C3C=CC=C4
JWH 081 5-METHOXYNAPHTHYL ISOMER
CAS:1427325-65-2
Formula: C25H25NO2
9.00105e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=CC=C3OC)=O)C4=CC=CC=C41
JWH 081 6-METHOXYNAPHTHYL ISOMER
CAS:824961-41-3
Formula: C25H25NO2
9.00105e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=CC(OC)=C3)=O)C4=CC=CC=C41
JWH 081 N-(4-HYDROXYPENTYL) METABOLITE-D5
CAS:2747916-00-1
Formula: C25H20D5NO3
14360
O=C(C1=C(C=CC=C2)C2=C(OC)C=C1)C3=C([2H])N(CCCC(O)C)C4=C3C([2H])=C([2H])C([2H])=C4[2H]
JWH 081-D9
CAS:1651833-49-6
Formula: C25H16D9NO2
10511
O=C(C1=CN(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2)C3=CC=C(OC)C4=CC=CC=C43
JWH 081-N-(CYCLOHEXYLMETHYL) ANALOG
CAS:1373876-34-6
Formula: C27H27NO2
14655
O=C(C1=CC=C(OC)C2=C1C=CC=C2)C3=CN(CC4CCCCC4)C5=C3C=CC=C5
JWH 098
CAS:316189-74-9
Formula: C26H27NO2
10680
CCCCCN1C(C)=C(C(C2=C(C=CC=C3)C3=C(OC)C=C2)=O)C4=C1C=CC=C4
JWH 122
CAS:619294-47-2
Formula: C25H25NO
10591
CCCCCN1C2=C(C=CC=C2)C(C(C3=CC=C(C)C4=C3C=CC=C4)=O)=C1
JWH 122 5-METHYLNAPHTHYL ISOMER
CAS:1391052-02-0
Formula: C25H25NO
9.00103e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=CC=C3C)=O)C4=CC=CC=C41
JWH 122 7-METHYLNAPHTHYL ISOMER
CAS:824960-56-7
Formula: C25H25NO
9.00104e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=C(C)C=C3)=O)C4=CC=CC=C41
JWH 122 N-(4-HYDROXYPENTYL) METABOLITE
CAS:1537889-07-8
Formula: C25H25NO2
11784
O=C(C1=CC=C(C)C2=C1C=CC=C2)C3=CN(CCCC(O)C)C4=C3C=CC=C4
JWH 122 N-(4-PENTENYL) ANALOG
CAS:1445577-68-3
Formula: C25H23NO
11611
O=C(C1=CC=C(C)C2=C1C=CC=C2)C3=CN(CCCC=C)C4=CC=CC=C43
JWH 122 N-(5-HYDROXYPENTYL) METABOLITE
CAS:1379604-68-8
Formula: C25H25NO2
10925
O=C(C1=CC=C(C)C2=C1C=CC=C2)C3=CN(CCCCCO)C4=C3C=CC=C4
JWH 145
CAS:914458-19-8
Formula: C26H25NO
10825
O=C(C1=CN(CCCCC)C(C2=CC=CC=C2)=C1)C3=C(C=CC=C4)C4=CC=C3
JWH 146
CAS:914458-21-2
Formula: C28H29NO
14232
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCCC)C(C4=CC=CC=C4)=C3
JWH 147
CAS:914458-20-1
Formula: C27H27NO
10826
O=C(C1=CN(CCCCCC)C(C2=CC=CC=C2)=C1)C3=C(C=CC=C4)C4=CC=C3
JWH 167
CAS:864445-37-4
Formula: C21H23NO
13979
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)CC3=CC=CC=C3
JWH 176
CAS:619294-62-1
Formula: C25H24
11617
CCCCCC(C1=C/2C=CC=C1)=CC2=C/C3=C4C(C=CC=C4)=CC=C3
JWH 180
CAS:824959-87-7
Formula: C25H25NO
9.00121e+006
O=C(C1=CC=C(CCC)C2=C1C=CC=C2)C3=CN(CCC)C4=C3C=CC=C4
JWH 181
CAS:824960-03-4
Formula: C28H31NO
38120
CCCCCN1C(C)=C(C(C2=C(C=CC=C3)C3=C(CCC)C=C2)=O)C4=C1C=CC=C4
JWH 182
CAS:824960-02-3
Formula: C27H29NO
10643
CCCCCN1C=C(C(C2=C(C=CC=C3)C3=C(CCC)C=C2)=O)C4=C1C=CC=C4
JWH 193
CAS:133438-58-1
Formula: C26H26N2O2
13980
O=C(C1=CN(CCN2CCOCC2)C3=C1C=CC=C3)C4=CC=C(C)C5=C4C=CC=C5
JWH 198
CAS:166599-76-4
Formula: C26H26N2O3
13981
O=C(C1=CN(CCN2CCOCC2)C3=C1C=CC=C3)C4=CC=C(OC)C5=C4C=CC=C5
JWH 200
CAS:103610-04-4
Formula: C25H24N2O2
10902
O=C(C1=CN(CCN2CCOCC2)C3=C1C=CC=C3)C4=C5C(C=CC=C5)=CC=C4
JWH 200 5-HYDROXYINDOLE METABOLITE
CAS:133438-72-9
Formula: C25H24N2O3
10745
O=C(C1=CN(CCN2CCOCC2)C3=C1C=C(O)C=C3)C4=CC=CC5=C4C=CC=C5
JWH 200 6-HYDROXYINDOLE METABOLITE
CAS:1427325-76-5
Formula: C25H24N2O3
10746
O=C(C1=CN(CCN2CCOCC2)C3=C1C=CC(O)=C3)C4=CC=CC5=C4C=CC=C5
JWH 200 7-HYDROXYINDOLE METABOLITE
Formula: C25H24N2O3
10747
O=C(C1=CN(CCN2CCOCC2)C3=C1C=CC(O)=C3)C4=CC=CC5=C4C=CC=C5
JWH 200 ANALOG 1
Formula: C22H30N2O2
9.00195e+006
O=C(/C=C(C(C)(C)C)\C)C1=CN(CCN2CCOCC2)C3=CC=CC=C31
JWH 200-D5
CAS:1651833-51-0
Formula: C25H19D5N2O2
10903
O=C(C1=CC=CC2=C1C=CC=C2)C3=C([2H])N(CCN4CCOCC4)C5=C([2H])C([2H])=C([2H])C([2H])=C53
JWH 201
CAS:864445-47-6
Formula: C22H25NO2
10721
O=C(CC1=CC=C(OC)C=C1)C2=CN(CCCCC)C3=CC=CC=C32
JWH 203 4-CHLOROPHENYL ISOMER
CAS:864445-58-9
Formula: C21H22ClNO
10867
O=C(CC1=CC=C(Cl)C=C1)C2=CN(CCCCC)C3=CC=CC=C32
JWH 203 N-(5-HYDROXYPENTYL) METABOLITE
CAS:1843184-37-1
Formula: C21H22ClNO2
14228
O=C(CC1=C(Cl)C=CC=C1)C2=CN(CCCCCO)C3=CC=CC=C32
JWH 203 N-PENTANOIC ACID METABOLITE
CAS:1449675-70-0
Formula: C21H20ClNO3
14229
O=C(CC1=C(Cl)C=CC=C1)C2=CN(CCCCC(O)=O)C3=CC=CC=C32
JWH 210 2-ETHYLNAPHTHYL ISOMER
CAS:1427325-79-8
Formula: C26H27NO
9.00104e+006
CCCCCN1C=C(C(C2=C(CC)C=CC3=C2C=CC=C3)=O)C4=CC=CC=C41
JWH 210 5-ETHYLNAPHTHYL ISOMER
CAS:1632469-94-3
Formula: C26H27NO
9.00104e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=CC=C3CC)=O)C4=CC=CC=C41
JWH 210 5-HYDROXYINDOLE METABOLITE
CAS:1427325-81-2
Formula: C26H27NO2
9.00077e+006
O=C(C1=CN(CCCCC)C2=C1C=C(O)C=C2)C3=C4C(C=CC=C4)=C(CC)C=C3
JWH 210 7-ETHYLNAPHTHYL ISOMER
CAS:824960-64-7
Formula: C26H27NO
9.00104e+006
CCCCCN1C=C(C(C2=CC=CC3=C2C=C(CC)C=C3)=O)C4=CC=CC=C41
JWH 210 N-(4-HYDROXYPENTYL) METABOLITE
CAS:1427521-37-6
Formula: C26H27NO2
10940
CC(O)CCCN1C2=CC=CC=C2C(C(C3=CC=C(CC)C4=C3C=CC=C4)=O)=C1
JWH 210 N-(5-HYDROXYPENTYL) METABOLITE
CAS:1427521-40-1
Formula: C26H27NO2
9.00077e+006
O=C(C1=CN(CCCCCO)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=C(CC)C=C3
JWH 210 N-PENTANOIC ACID METABOLITE
CAS:1427521-36-5
Formula: C26H25NO3
10941
O=C(C1=CC=C(CC)C2=C1C=CC=C2)C3=CN(CCCCC(O)=O)C4=CC=CC=C43
JWH 249
CAS:864445-60-3
Formula: C21H22BrNO
11153
O=C(CC1=C(Br)C=CC=C1)C2=CN(CCCCC)C3=C2C=CC=C3
JWH 250
CAS:864445-43-2
Formula: C22H25NO2
13634
CCCCCN1C2=CC=CC=C2C(C(CC3=C(OC)C=CC=C3)=O)=C1
JWH 250 5-HYDROXYINDOLE METABOLITE
CAS:1379604-67-7
Formula: C22H25NO3
9.00077e+006
O=C(C1=CN(CCCCC)C2=C1C=C(O)C=C2)CC3=C(OC)C=CC=C3
JWH 250 N-(4-HYDROXYPENTYL) METABOLITE
CAS:1427521-38-7
Formula: C22H25NO3
10939
CC(O)CCCN1C2=CC=CC=C2C(C(CC3=C(OC)C=CC=C3)=O)=C1
JWH 250 N-(5-HYDROXYPENTYL) METABOLITE
CAS:1427325-83-4
Formula: C22H25NO3
9.00077e+006
O=C(C1=CN(CCCCCO)C2=C1C=CC=C2)CC3=C(OC)C=CC=C3
JWH 250 N-PENTANOIC ACID METABOLITE
CAS:1379604-65-5
Formula: C22H23NO4
10938
OC(CCCCN1C2=CC=CC=C2C(C(CC3=C(OC)C=CC=C3)=O)=C1)=O
JWH 250-D5
CAS:1651833-53-2
Formula: C22H20D5NO2
10661
CCCCCN1C2=C([2H])C([2H])=C([2H])C([2H])=C2C(C(CC3=C(OC)C=CC=C3)=O)=C1[2H]
JWH 251
CAS:864445-39-6
Formula: C22H25NO
10578
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)CC3=C(C)C=CC=C3
JWH 307
CAS:914458-26-7
Formula: C26H24FNO
10797
O=C(C1=CN(CCCCC)C(C2=CC=CC=C2F)=C1)C3=C4C(C=CC=C4)=CC=C3
JWH 368
CAS:914458-31-4
Formula: C26H24FNO
10829
O=C(C1=CN(CCCCC)C(C2=CC(F)=CC=C2)=C1)C3=C4C(C=CC=C4)=CC=C3
JWH 398
CAS:1292765-18-4
Formula: C24H22ClNO
13636
CCCCCN1C2=C(C=CC=C2)C(C(C3=CC=C(Cl)C4=C3C=CC=C4)=O)=C1
JWH 398 2-CHLORONAPHTHYL ISOMER
CAS:1391054-25-3
Formula: C24H22ClNO
9.00102e+006
ClC1=CC=C(C=CC=C2)C2=C1C(C3=CN(CCCCC)C4=C3C=CC=C4)=O
JWH 398 3-CHLORONAPHTHYL ISOMER (HYDRATE)
Formula: C24H22ClNO • XH2O
9.00102e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC(Cl)=C3.O
JWH 398 5-CHLORONAPHTHYL ISOMER
CAS:1427325-89-0
Formula: C24H22ClNO
9.00103e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C4C(C(Cl)=CC=C4)=CC=C3
JWH 398 6-CHLORONAPHTHYL ISOMER
CAS:2365471-63-0
Formula: C24H22ClNO
9.00103e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C4C(C=C(Cl)C=C4)=CC=C3
JWH 398 7-CHLORONAPHTHYL ISOMER
CAS:1391051-95-8
Formula: C24H22ClNO
9.00103e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C4C(C=CC(Cl)=C4)=CC=C3
JWH 398 N-(5-HYDROXYPENTYL) METABOLITE
CAS:1379604-69-9
Formula: C24H22ClNO2
9.00077e+006
O=C(C1=CN(CCCCCO)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=C(Cl)C=C3
JWH 398 N-PENTANOIC ACID METABOLITE
CAS:1537889-10-3
Formula: C24H20ClNO3
10942
O=C(C1=CC=C(Cl)C2=C1C=CC=C2)C3=CN(CCCCC(O)=O)C4=CC=CC=C43
JWH 412
CAS:1364933-59-4
Formula: C24H22FNO
11971
O=C(C1=C2C=CC=CC2=C(F)C=C1)C3=CN(CCCCC)C4=C3C=CC=C4
JWH 412 N-(5-HYDROXYPENTYL) METABOLITE
CAS:2748591-83-3
Formula: C24H22FNO2
17789
O=C(C1=CC=C(F)C2=C1C=CC=C2)C3=CN(C4=C3C=CC=C4)CCCCCO
JX-401
CAS:349087-34-9
Formula: C21H25NO2S
16898
O=C(C1=CC=C(SC)C=C1OC)N(CC2)CCC2CC3=CC=CC=C3
JX06
CAS:729-46-4
Formula: C10H16N2O2S4
34850
S=C(N1CCOCC1)SSC(N2CCOCC2)=S
JYL1421
CAS:401907-26-4
Formula: C20H26FN3O2S2
20458
CC(C)(C)C1=CC=C(CNC(NCC2=CC(F)=C(NS(C)(=O)=O)C=C2)=S)C=C1
JZL 184
CAS:1101854-58-3
Formula: C27H24N2O9
13158
OC(C1=CC(OCO2)=C2C=C1)(C3=CC=C(OCO4)C4=C3)C5CCN(C(OC6=CC=C([N+]([O-])=O)C=C6)=O)CC5
JZL 195
CAS:1210004-12-8
Formula: C24H23N3O5
13668
O=C(OC1=CC=C([N+]([O-])=O)C=C1)N(CC2)CCN2CC3=CC=CC(OC4=CC=CC=C4)=C3
JZP 430
CAS:1672691-74-5
Formula: C16H26N4O3S
35383
O=C(OC1=NSN=C1N2CCOCC2)N(C)C3CCCCCCC3
K 41498 (trifluoroacetate salt)
Formula: C162H276N48O46 • XCF3COOH
36417
O=C([C@@H](CC1=CC=CC=C1)N[H])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](CCCC)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)
K-41
CAS:53026-37-2
Formula: C48H82O18
29573
CO[C@@H]1C[C@](C[C@H]2[C@@](OC)(C)[C@@H](OC)[C@H](C)[C@]([C@H](C(O)=O)O)(O)O2)([H])O[C@]3(O[C@@]([C@@]4([H])CC[C@]([C@]5([H])O[C@]([C@]6([H])[C@@H](C)[C@H](O[C@@H]7O[C@H](C)[C@@H](OC)CC7)[C@@H](C)[C@](O)(C)O6)([H])CC5)([H])O4)(C)[C@H](OC)[C@H]3C)[C@@H]1C
K-7174 (HYDROCHLORIDE)
CAS:191089-60-8
Formula: C33H48N2O6 • 2HCl
32773
COC1=C(C=C(C=C1OC)/C=C/CCCN2CCN(CCC2)CCC/C=C/C3=CC(OC)=C(C(OC)=C3)OC)OC.Cl.Cl
K-BIOTIN-W-HISTONE H2B (108-125) (TRIFLUOROACETATE SALT)
Formula: C110H176N30O32S • XCF3COOH
28214
O=C(NCCCC[C@@H](C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(NCC(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCCCN)C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@
K-RAS(G12C) INHIBITOR 12
CAS:1469337-95-8
Formula: C15H17ClIN3O3
20118
IC1=C(Cl)C=C(O)C(NCC(N2CCN(C(C=C)=O)CC2)=O)=C1
K-RAS(G12C) INHIBITOR 9
CAS:1469337-91-4
Formula: C16H21ClIN3O4S
18005
IC1=C(Cl)C=C(OC)C(NCC(N2CCC(NS(C=C)(=O)=O)CC2)=O)=C1
K145 (HYDROCHLORIDE)
CAS:1449240-68-9
Formula: C18H24N2O3S • HCl
11691
CCCCOC1=CC=C(CC/C=C2SC(N(CCN)C\2=O)=O)C=C1.Cl
K22
CAS:2141978-86-9
Formula: C27H25BrN2O3
31578
O=C(C1=CC=CC=C1)N/C(C(N2CCC(C3=CC=C(C=C3)Br)(CC2)O)=O)=C\C4=CC=CC=C4
K252A
CAS:99533-80-9
Formula: C27H21N3O5
11338
O[C@@]1(C(OC)=O)[C@@](O[C@]2([H])C1)(C)N3C4=CC=CC=C4C5=C3C(N2C6=CC=CC=C67)=C7C8=C5CNC8=O
K252B
CAS:99570-78-2
Formula: C26H19N3O5
11339
O[C@]1(C(O)=O)[C@](O[C@@]2([H])C1)(C)N3C4=CC=CC=C4C5=C3C(N2C6=CC=CC=C67)=C7C8=C5CNC8=O
K252C
CAS:85753-43-1
Formula: C20H13N3O
13514
O=C1NCC2=C1C(C3=CC=CC=C3N4)=C4C5=C2C6=C(C=CC=C6)N5
K252D
CAS:105114-22-5
Formula: C26H23N3O5
28469
O=C1NCC2=C1C(C(C=CC=C3)=C3N4[C@@]5([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)=C4C6=C2C7=C(C=CC=C7)N6
K6PC-5
CAS:756875-51-1
Formula: C19H37NO4
34070
O=C(C(CCCCCC)C(CCCCCCC)=O)NC(CO)CO
K777
CAS:233277-99-1
Formula: C32H38N4O4S
19114
O=S(C1=CC=CC=C1)(/C=C/[C@H](CCC2=CC=CC=C2)NC([C@H](CC3=CC=CC=C3)NC(N4CCN(C)CC4)=O)=O)=O
K858
CAS:72926-24-0
Formula: C13H15N3O2S
22112
O=C(C)N1N=C(NC(C)=O)SC1(C)C2=CC=CC=C2
KAEMPFERIDE
CAS:491-54-3
Formula: C16H12O6
29673
OC1=C2C(OC(C3=CC=C(OC)C=C3)=C(O)C2=O)=CC(O)=C1
KAEMPFERITRIN
CAS:482-38-2
Formula: C27H30O14
12093
OC1=C(C(C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=C(C3=CC=C(O)C=C3)O4)=O)C4=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C1
KAEMPFEROL
CAS:520-18-3
Formula: C15H10O6
11852
OC1=C(C2=CC=C(O)C=C2)OC3=C(C1=O)C(O)=CC(O)=C3
KAEMPFEROL 3-GLUCURONIDE
CAS:22688-78-4
Formula: C21H18O12
34645
O=C(C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)=C(C2=CC=C(C=C2)O)OC3=CC(O)=C4)C3=C4O
KAEMPFEROL 3-NEOHESPERIDOSIDE
CAS:32602-81-6
Formula: C27H30O15
34533
O=C(C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)=C(C3=CC=C(C=C3)O)OC4=CC(O)=C5)C4=C5O
KAEMPFEROL 3-O-GALACTOSIDE
CAS:23627-87-4
Formula: C21H20O11
33747
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC=C(C=C3)O)=C1O[C@@H]4O[C@@H]([C@@H]([C@@H]([C@H]4O)O)O)CO
KAEMPFEROL 7-NEOHESPERIDOSIDE
CAS:17353-03-6
Formula: C27H30O15
34831
O=C1C2=C(O)C=C(O[C@H]3[C@H](O[C@]4([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2OC(C5=CC=C(C=C5)O)=C1O
KAEMPFEROL 7-O-GLUCOSIDE
CAS:16290-07-6
Formula: C21H20O11
34347
O=C1C2=C(O)C=C(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C=C2OC(C4=CC=C(C=C4)O)=C1O
KAEMPFEROL-3-GLUCOSIDE
CAS:480-10-4
Formula: C21H20O11
25060
O=C(C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=C(C2=CC=C(O)C=C2)O3)C4=C3C=C(O)C=C4O
KAHWEOL
CAS:6894-43-5
Formula: C20H26O3
14015
OC[C@]1(O)[C@@]2([H])C[C@]3(C1)CCC4C5=C(OC=C5)C=C[C@@]4(C)C3CC2
KALLIDIN (380-389) (HUMAN, PORCINE, BOVINE) (TRIFLUOROACETATE SALT)
Formula: C56H85N17O12 • XCF3COOH
31481
NCCCC[C@H](N)C(N[C@@H](CCCNC(N)=N)C(N1[C@H](C(N2CCC[C@H]2C(NCC(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CO)C(N4[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)CC5=CC=CC=C5)=O)CCC4)=O)=O)=O)=O)=O)CCC1)=O)=O.OC(C(F)(F)F)=O
KANAMYCIN A (SULFATE)
CAS:25389-94-0
Formula: C18H36N4O11 • H2SO4
15321
N[C@H]([C@H]1O)[C@H](O)[C@@H](CO)O[C@]1([H])O[C@H]([C@H]2O)[C@H](N)C[C@H](N)[C@H]2OC3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O.O=S(O)(O)=O
KANAMYCIN B
CAS:4696-76-8
Formula: C18H37N5O10
34561
O[C@H]([C@H]([C@@H](C[C@@H]1N)N)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)N)O)CO)[C@@H]1O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3N)O)O)CN
KANOSAMINE (HYDROCHLORIDE)
CAS:57649-10-2
Formula: C6H13NO5 • HCl
16623
O=C([H])[C@H](O)[C@@H](N)[C@H](O)[C@H](O)CO.Cl
KARRIKIN 2
CAS:857054-03-6
Formula: C7H4O3
29822
O=C1C=C2C=COC=C2O1
KARRIKINOLIDE
CAS:857054-02-5
Formula: C8H6O3
29935
O=C1C(C)=C2C=COC=C2O1
KARRIKINOLIDE 3-ETHYL ESTER
CAS:1030604-40-0
Formula: C10H8O5
31675
O=C1OC2=COC=CC2=C1C(OCC)=O
KARTOGENIN
CAS:4727-31-5
Formula: C20H15NO3
11826
OC(C1=CC=CC=C1C(NC2=CC=C(C3=CC=CC=C3)C=C2)=O)=O
KAS 08
CAS:203861-20-5
Formula: C24H20N4O6S
36474
O=C(C1=CC=C([N+]([O-])=O)C=C1)N2CCC3=CC(S(=O)(N4C(N[C@](C5=CC=CC=C5)([H])C4)=O)=O)=CC=C32
Kassinin (frog) (trifluoroacetate salt)
Formula: C59H95N15O18S • XCF3COOH
39727
[H]N[C@H](C(N[C@@H](C(C)C)C(N1CCC[C@H]1C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)CC(O)=O)=O)=O)=O)=O)=O)CC(O)=O.FC(F)(F)C(O)=O
KASUGAMYCIN (HYDROCHLORIDE)
CAS:19408-46-9
Formula: C14H25N3O9 • HCl
15322
O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[C@@]2([H])O[C@H](C)[C@@H](NC(C(O)=O)=N)C[C@@H]2N)[C@@H]1O.Cl
KAT8 Inhibitor 19
CAS:28532-21-0
Formula: C16H13N3O3
38977
CC(C1=CC2=CC=CN2)=NN(C3=CC=C(C(O)=O)C=C3)C1=O
Katacalcin (trifluoroacetate salt)
Formula: C97H154N34O36S2 • XCF3COOH
39285
[H]N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@H](C(N2CCC[C@H]2C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(
KAURENOIC ACID
CAS:6730-83-2
Formula: C20H30O2
28957
C[C@]12[C@@](CC[C@]3(C4)[C@@]2([H])CC[C@@H](C4=C)C3)([H])[C@@](C(O)=O)(C)CCC1
KAZUSAMYCIN A
CAS:92090-94-3
Formula: C33H48O7
20137
O=C1O[C@@H](/C=C/C(CC)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(O)=O)=O)[C@@H](C)C=C1
KAZUSAMYCIN B
CAS:107140-30-7
Formula: C32H46O7
28119
O=C1OC(/C=C/C(C)=C\C(C)C/C=C/C(C)=C/C(CO)C(C(C)C(O)C(C)C/C(C)=C/C(O)=O)=O)C(C)C=C1
KB NB 142-70
CAS:1233533-04-4
Formula: C11H9NO2S2
18002
OC1=CC2=C(SC3=C2SCCNC3=O)C=C1
KB-0742 (hydrochloride)
Formula: C16H25N5 • HCl
39772
CCC(CC)C1=NC2=CC=NN2C(N[C@@H]3C[C@@H](N)CC3)=C1.Cl
KB-130015
CAS:147030-48-6
Formula: C18H14I2O4
33461
O=C(COC1=C(C=C(CC2=C(C)OC3=C2C=CC=C3)C=C1I)I)O
KB-NB77-78
CAS:1350622-33-1
Formula: C18H25NO3Si
21562
O=C(OC1=C2C=C(O[Si](C)(C)C(C)(C)C)C=C1)C3=C2CCCN3
KB-R7943 (MESYLATE)
CAS:182004-65-5
Formula: C16H17N3O3S • CH3SO3H
16352
NC(SCCC(C=C1)=CC=C1OCC2=CC=C([N+]([O-])=O)C=C2)=N.OS(C)(=O)=O
KB2115
CAS:355129-15-6
Formula: C18H17Br2NO5
1.00111e+007
OC(=O)CC(=O)Nc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1
KC01
CAS:1646795-59-6
Formula: C22H39NO3
17364
O=C1OC(CCCCCCCCCCCCC)/C1=C/CCCCC(N)=O
KC7F2
CAS:927822-86-4
Formula: C16H16Cl4N2O4S4
14123
ClC1=C(S(NCCSSCCNS(C2=C(Cl)C=CC(Cl)=C2)(=O)=O)(=O)=O)C=C(Cl)C=C1
KD 025
CAS:911417-87-3
Formula: C26H24N6O2
17055
O=C(NC(C)C)COC1=CC=CC(C2=NC3=CC=CC=C3C(NC4=CC(C=NN5)=C5C=C4)=N2)=C1
KD 5170
CAS:940943-37-3
Formula: C20H25N3O5S2
13214
CN(C)CCCOC1=CC=C(S(NC2=NC=C(C(CSC(C)=O)=O)C=C2)(=O)=O)C=C1
KDM4D-IN-1
CAS:2098902-68-0
Formula: C11H7N5O
37431
N#CC(C(C)=NN1C2=NC=CC=C23)=C1NC3=O
Kdo2-Lipid A (sodium salt)
Formula: C110H198N2O39P2 • 4Na
10860
O=P(O)([O-])O[C@@H](O1)[C@H](NC(C[C@@H](CCCCCCCCCCC)O)=O)[C@@H](OC(C[C@@H](CCCCCCCCCCC)O)=O)[C@H](O)[C@H]1CO[C@H]2[C@H](NC(C[C@@H](CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O)[C@@H](OC(C[C@H](OC(CCCCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@H](OP(O)([O-])=O)C(CO[C@@]3(C([
KDU691
CAS:1513879-19-0
Formula: C22H18ClN5O2
29019
ClC1=CC=C(N(C)C(C(N=C2)=CN3C2=NC=C3C4=CC=C(C(NC)=O)C=C4)=O)C=C1
KEMPFPKYPVEP Peptide (bovine, ovine) (trifluoroacetate salt)
Formula: C70H104N14O18S • XCF3COOH
38850
[H]N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N2CCC[C@H]2C(N[C@@H](CCCCN)C(N[C@H](C(N3CCC[C@H]3C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N4CCC[C@H]4C(O)=O)=O)=O)=O)=O)CC5=CC=C(O)C=C5)=O)=O)=O)CC6=CC=CC=C6)=O)=O)CCSC)=O)=O.OC(C(F)(F)F)=O
KEMPTIDE
CAS:65189-71-1
Formula: C32H61N13O9
15555
OC(CNC([C@H](CC(C)C)NC([C@H](CO)NC([C@H](C)NC([C@@H](NC([C@@H](NC([C@@H](N)CC(C)C)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)=O)=O)=O)=O
KENDOMYCIN
CAS:183202-73-5
Formula: C29H42O6
11037
C[C@@H](CC[C@]1([H])[C@H](C)[C@H](O)[C@@H](C)[C@](O1)([H])C2=C(O)C3=O)/C=C(C[C@@H](C)C[C@H](C)[C@@]4(O)C=C2C(O4)=C3C)\C
KENPAULLONE
CAS:142273-20-9
Formula: C16H11BrN2O
1.00102e+007
O=C1Nc2ccccc2c2[nH]c3ccc(Br)cc3c2C1
KERACYANIN (CHLORIDE)
CAS:18719-76-1
Formula: C27H31O15 • Cl
15778
OC(C(O)=C1)=CC=C1C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4.[Cl-]
KETAMINE (HYDROCHLORIDE)
CAS:1867-66-9
Formula: C13H16ClNO • HCl
33572
O=C1CCCCC1(C2=C(Cl)C=CC=C2)NC.Cl
KETAMINE HYDROXYLIMINE PRECURSOR (HYDROCHLORIDE)
CAS:90717-16-1
Formula: C13H16ClNO • HCl
22213
ClC1=C(/C(C2(O)CCCC2)=N/C)C=CC=C1.Cl
KETAMINE-D4 (HYDROCHLORIDE)
CAS:1246815-97-3
Formula: C13H12ClD4NO • HCl
15818
O=C1CCCCC1(C2=C(Cl)C([2H])=C([2H])C([2H])=C2[2H])NC.Cl
KETANSERIN
CAS:74050-98-9
Formula: C22H22FN3O3
37984
O=C1N(CCN2CCC(C(C3=CC=C(F)C=C3)=O)CC2)C(C4=CC=CC=C4N1)=O
KETAZOLAM
CAS:27223-35-4
Formula: C20H17ClN2O3
11449
CN(C(C=CC(Cl)=C1)=C1C(OC(C)=CC2=O)(C3=CC=CC=C3)N2C4)C4=O
KETOCONAZOLE-D3
CAS:1217766-70-5
Formula: C26H25Cl2D3N4O4
1.00107e+007
O=C(C([2H])([2H])[2H])N1CCN(C2=CC=C(OC[C@@H]3O[C@](C4=CC=C(Cl)C=C4Cl)(CN5C=CN=C5)OC3)C=C2)CC1
KETOROLAC
CAS:74103-06-3
Formula: C15H13NO3
9.00115e+006
O=C(C1=CC=C2N1CCC2C(O)=O)C3=CC=CC=C3
KETOROLAC (CALCIUM SALT)
CAS:167105-81-9
Formula: C15H12NO3 • 1/2Ca
9.00348e+006
O=C(C1=CC=C2N1CCC2C([O-])=O)C3=CC=CC=C3.O=C(C4=CC=C5N4CCC5C([O-])=O)C6=CC=CC=C6.[Ca+2]
KETOTIFEN (FUMARATE)
CAS:34580-14-8
Formula: C19H19NOS • C4H4O4
20303
O=C1C2=C(C=CS2)/C(C3=CC=CC=C3C1)=C4CCN(C)CC/4.OC(/C=C/C(O)=O)=O
KETOTIFEN-13C-D3
CAS:2748522-40-7
Formula: C18[13C]H16D3NOS
28802
O=C1C2=C(C=CS2)/C(C3=CC=CC=C3C1)=C4CCN([13C]([2H])([2H])[2H])CC/4
KEVETRIN (HYDROCHLORIDE)
CAS:66592-89-0
Formula: C5H9N3S • HCl
28288
NC(SCCCC#N)=N.Cl
KH7
CAS:330676-02-3
Formula: C17H15BrN4O2S
13243
OC1=CC=C(Br)C=C1/C=N/NC(C(C)([H])SC2=NC3=C(C=CC=C3)N2)=O
KHASIANINE
CAS:32449-98-2
Formula: C39H63NO11
38762
C[C@H](CC1)CN[C@@]21[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CO)O7)CC6=CC[C@@]5([H])[C@]4([H])C[C@]3([H])O2
KHS-101
CAS:1262770-73-9
Formula: C18H21N5S
37544
CC(C)CNC1=NC(NCC2=CSC(C3=CC=CC=C3)=N2)=NC=C1
KI16425
CAS:355025-24-0
Formula: C23H23ClN2O5S
1.00127e+007
OC(=O)CCSCc1ccc(cc1)c1onc(C)c1NC(=O)OC(C)c1ccccc1Cl
KI20227
CAS:623142-96-1
Formula: C24H24N4O5S
22258
COC1=C(OC)C=C(C(OC2=CC(OC)=C(NC(NC(C)C3=NC=CS3)=O)C=C2)=CC=N4)C4=C1
KI8751
CAS:228559-41-9
Formula: C24H18F3N3O4
18004
COC1=C(OC)C=C(C(OC2=CC(F)=C(NC(NC3=C(F)C=C(F)C=C3)=O)C=C2)=CC=N4)C4=C1
KIBDELONE A
CAS:934464-77-4
Formula: C29H24ClNO10
21524
O=C1N(C)C(CCC)=C(Cl)C2=C1C(C3=C4C(C(OC)=C(C(C5=O)=C4O)OC6=C5[C@@H](O)[C@@H](O)C[C@@H]6O)=CC=C3C2=O)=O
KIBDELONE B
CAS:934464-78-5
Formula: C29H26ClNO10
19444
O=C1N(C)C(CCC)=C(Cl)C2=C1C(C3=C(C2=O)CCC(C3=C4O)=C(OC)C5=C4C(C6=C(O5)[C@@H](O)C[C@H](O)[C@@H]6O)=O)=O
KIBDELONE C
CAS:934464-79-6
Formula: C29H28ClNO10
21525
O=C1N(C)C(CCC)=C(Cl)C2=C1C(O)=C(C3=C(O)C(C4=O)=C(C(OC)=C3CC5)OC6=C4[C@@H](O)[C@@H](O)C[C@@H]6O)C5=C2O
KIFUNENSINE
CAS:109944-15-2
Formula: C8H12N2O6
1.00094e+007
O[C@H]1[C@H](O)[C@H](O)[C@](NC(C2=O)=O)([H])N2[C@@H]1CO
KIGAMICIN C
CAS:680571-51-1
Formula: C41H47NO16
19445
O=C1C2=C([C@@H](O)[C@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])C[C@@H](OC)[C@H](O)[C@@H](C)O4)CC3)C[C@@H]2O)OC(C1=C5O)=C6OCO[C@@]7([H])C6=C5C(C(O)=C(C(N(CCO8)[C@@]8(C)C9)=O)C9=C%10)=C%10C7
KIJANIMICIN
CAS:78798-08-0
Formula: C67H100N2O24
20586
O[C@H]([C@H](O)C1)[C@H](C)O[C@@]1([H])O[C@H](C2)[C@@H](O[C@]3([H])C[C@@H](O)[C@@H](OC)[C@H](C)O3)[C@H](C)O[C@@]2([H])O[C@H](C4)[C@@H](O)[C@H](C)O[C@@]4([H])O[C@@H]5[C@]6([H])[C@@]([C@@](C(C7=C8O)=O)(C)[C@@](/C(C)=C\C[C@H](O[C@]9([H])O[C@H](C)[C@H](NC
KIN101
CAS:610753-87-2
Formula: C16H11BrO5S
37429
O=C1C(C2=CC=C(Br)C=C2)=COC3=CC(OS(=O)(C)=O)=CC=C13
KIN1148
CAS:1428729-56-9
Formula: C19H11N3OS2
38980
O=C(C1=CC2=C(C=CC=C2)C=C1)NC3=NC4=C(S3)C5=C(SC=N5)C=C4
KIN1400
CAS:446826-86-4
Formula: C24H17F2N3O2S
22441
FC(F)OC(C=C1)=CC=C1C(NC2=NC3=C(C=CC=C3)S2)C4=C(O)C(N=CC=C5)=C5C=C4
KIN1408
CAS:1903800-11-2
Formula: C25H19F2N3O3S
21790
FC(F)OC1=CC=C(C(C2=C(O)C(N=CC=C3)=C3C=C2)N(C4=NC(C=C(OC)C=C5)=C5S4)[H])C=C1
KIN59
CAS:4152-77-6
Formula: C29H26N4O5
19833
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CNC3=O)O[C@@H]1COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
KINETENSIN (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C56H85N17O11 • XCF3COOH
33138
CC[C@H](C)[C@H](N)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC1=CN=CN1)C(N2[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)CCC2)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
KINETIN
CAS:525-79-1
Formula: C10H9N5O
20712
C12=NC=NC1=C(NCC3=CC=CO3)NC=N2
KINETIN RIBOSIDE
CAS:4338-47-0
Formula: C15H17N5O5
36570
O[C@H]1[C@](O[C@@H]([C@H]1O)CO)([H])N2C3=NC=NC(NCC4=CC=CO4)=C3N=C2
KINSENOSIDE
CAS:151870-74-5
Formula: C10H16O8
25144
OC[C@H]1O[C@@H](O[C@]2([H])CC(OC2)=O)[C@H](O)[C@@H](O)[C@@H]1O
KIRA6
CAS:1589527-65-0
Formula: C28H25F3N6O
19151
NC1=NC=CN2C1=C(C3=C(C=CC=C4)C4=C(NC(NC5=CC(C(F)(F)F)=CC=C5)=O)C=C3)N=C2C(C)(C)C
KIRENOL
CAS:52659-56-0
Formula: C20H34O4
26212
OC[C@H](O)[C@]1(C)C=C2CC[C@]3([H])[C@@](CO)(C)C[C@@H](O)C[C@@]3(C)[C@]2([H])CC1
KIRROMYCIN
CAS:50935-71-2
Formula: C43H60N2O12
25189
O[C@H]1[C@@H](/C=C/C=C/C=C(C)/C(C2=C(O)C=CNC2=O)=O)O[C@]([C@H](C)[C@H](OC)/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)([H])[C@H]1O
Kisspeptin-10 (mouse, rat)
CAS:478507-53-8
Formula: C63H83N17O15
14036
O=C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@H](C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N)=O)CC1=CC=C(O)C=C1)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)[C@@H](NC([C@H](CC(N)=O)NC([C@@H](N)CC3=CC=C(O)C=C3)=O)=O)CC4=CNC5=CC=CC=C45
Kisspeptin-10 (zebrafish) (trifluoroacetate salt)
Formula: C58H84N16O15 • XCF3COOH
35652
OC(C=C1)=CC=C1C[C@H](N)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@H](C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N)=O)CC2=CC=C(C=C2)O)=O)=O)=O)=O)CC3=CC=CC=C3)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
Kisspeptin-234 (trifluoroacetate salt)
CAS:1848962-29-7
Formula: C63H78N18O13 • XCF3COOH
35633
CC(N[C@H](C)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CC(N)=O)C(NCC(N[C@H](C(NCC(N[C@@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N)=O)CC1=CC=CC=C1)=O)=O)CC2=CNC3=CC=CC=C23)=O)=O)CC4=CC=CC=C4)=O)=O)=O)CC5=CNC6=CC=CC=C56)=O)=O)=O.O=C(O)C(F)(F)F
KISSPEPTIN-54 (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C258H401N79O78 • XCF3COOH
24477
NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC(CNC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@@H](NC([C@H](CC3=CNC4=C3C=CC=C4)NC([C@@H](NC([C@H](CC5=CC=C(C=C5)O)NC([C@@H](NC([C@@H]6CCCN6C([C@@H](NC([C@H](CC(O)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(
KJ PYR 9
CAS:581073-80-5
Formula: C22H15N3O4
19116
NC(C(C=C1)=CC=C1C2=CC(C3=CC=CO3)=NC(C4=CC=C([N+]([O-])=O)C=C4)=C2)=O
KL001
CAS:309928-48-1
Formula: C21H22N2O4S
13878
O=S(N(CC(O)CN1C(C=CC=C2)=C2C3=C1C=CC=C3)CC4=CC=CO4)(C)=O
KL1333
CAS:1800405-30-4
Formula: C14H12N2O2
39670
O=C1C(C2=C(C3=C1N=C(C(C)C)N3)C=CC=C2)=O
Klotho-derived Peptide 1 (56-87) (human) (trifluoroacetate salt)
Formula: C149H203N39O43 • XCF3COOH
38166
[H]N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@]([C@@H](C)O)([H])C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CCC(O)
KM 233
CAS:628263-22-9
Formula: C25H30O2
10640
CC(C1=CC=CC=C1)(C)C2=CC(O)=C3C(OC(C)(C)[C@H]4[C@H]3CC(C)=CC4)=C2
KMH-233
CAS:1941174-13-5
Formula: C32H25N7O5
31032
O=C([C@H](CC1=CC=CC(C(NC2=C(C(C3=CC=C(C=C3)OCC(NC)=O)=C(C4=NC5=CC=CC=C5N24)C#N)C#N)=O)=C1)N)O
KML29
CAS:1380424-42-9
Formula: C24H21F6NO7
11777
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(C2=CC=C(OCO3)C3=C2)(O)C4=CC(OCO5)=C5C=C4)CC1
KMN-80
CAS:1628759-75-0
Formula: C21H33NO4
15435
O=C1N(CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)[C@@H](C)CC#CCC)CC1
KN-62
CAS:127191-97-3
Formula: C38H35N5O6S2
13318
CN([C@@H](CC1=CC=C(OS(=O)(C2=C3C(C=NC=C3)=CC=C2)=O)C=C1)C(N4CCN(C5=CC=CC=C5)CC4)=O)S(C6=CC=CC7=C6C=CN=C7)(=O)=O
KN-92 (HYDROCHLORIDE)
CAS:1431698-47-3
Formula: C24H25ClN2O3S • HCl
9.00089e+006
CN(C/C=C/C1=CC=C(Cl)C=C1)CC2=CC=CC=C2N(S(=O)(C3=CC=C(OC)C=C3)=O)[H].O=P(OO)=O.[HH]
KN-93
CAS:139298-40-1
Formula: C26H29ClN2O4S
13319
CN(C/C=C/C1=CC=C(Cl)C=C1)CC2=CC=CC=C2N(S(=O)(C3=CC=C(OC)C=C3)=O)CCO
KN-93 (HYDROCHLORIDE)
CAS:1956426-56-4
Formula: C26H29ClN2O4S • HCl
13864
CN(C/C=C/C1=CC=C(Cl)C=C1)CC2=CC=CC=C2N(S(=O)(C3=CC=C(OC)C=C3)=O)CCO.Cl
KN-93 (PHOSPHATE)
CAS:1188890-41-6
Formula: C26H29ClN2O4S • H3PO4
21472
CN(C/C=C/C1=CC=C(Cl)C=C1)CC2=CC=CC=C2N(S(=O)(C3=CC=C(OC)C=C3)=O)CCO.O=P(OO)=O.[HH]
KO 143
CAS:461054-93-3
Formula: C26H35N3O5
15215
COC(C=C1)=CC2=C1C3=C(N2)[C@H](CC(C)C)N([C@@]4([H])C3)C([C@H](CCC(OC(C)(C)C)=O)NC4=O)=O
KO947
CAS:1695533-89-1
Formula: C21H17N5O
29213
O=C1NC2=C(C=C(C(C3=CC=NC=C3)=NN4)C4=C2)CN1CC5=CC=CC=C5
KOBE 0065
CAS:436133-68-5
Formula: C15H11ClF3N5O4S
16261
CC1=CC=C(NC(NNC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)=S)C=C1Cl
KOBE 2602
CAS:454453-49-7
Formula: C14H9F4N5O4S
16262
FC1=CC=C(NC(NNC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)=S)C=C1
KOCURIN
CAS:1374772-61-8
Formula: C69H66N18O13S5
29125
[H][C@]1(CCCN1C([C@H](CC2=CC=C(O)C=C2)NC([C@]3([H])CSC([C@H](CC4=CC=CC=C4)NC5=O)=N3)=O)=O)C6=NC(C7=NC(C8=NC(C9=NC(C(NC(C(N[C@@H](C)C(N%10[C@H](C(NC(C(NC(C(N)=O)=C)=O)=C)=O)CCC%10)=O)=O)=C)=O)=CS9)=CC=C8C%11=NC(C(N[C@@H](CC(N)=O)C%12=NC5=CS%12)=O)=C(C)O%11
KOJIC ACID
CAS:501-30-4
Formula: C6H6O4
22712
OC1=COC(CO)=CC1=O
KOTANIN A
CAS:27909-08-6
Formula: C24H22O8
24917
O=C1C=C(OC)C2=C(C(C3=C(OC)C=C(C)C(C(OC)=C4)=C3OC4=O)=C(OC)C=C2C)O1
KOUMINE
CAS:1358-76-5
Formula: C20H22N2O
36210
C=C[C@@]1(CN2C)[C@]3(C[C@@]2([H])[C@]4([H])[C@@]1([H])C[C@@]5([H])OC4)C5=NC6=CC=CC=C36
KP372-1
CAS:1374996-60-7
Formula: C10H4N6O • C10H4N6O
17808
O=C(C1=C2C=CC=C1)C(C2=N3)=NN4C3=NN=N4.O=C5C6=NC7=NN=NN7N=C6C8=C5C=CC=C8
KPT-185
CAS:1333151-73-7
Formula: C16H16F3N3O3
26074
COC1=CC(C2=NN(/C=C\C(OC(C)C)=O)C=N2)=CC(C(F)(F)F)=C1
KPT-276
CAS:1421919-75-6
Formula: C16H10F8N4O
29158
O=C(N1CC(F)(F)C1)/C=C\N2C=NC(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=N2
KPT-6566
CAS:881487-77-0
Formula: C22H21NO5S2
37308
O=C(CSC1=CC(C2=C(C1=O)C=CC=C2)=NS(=O)(C3=CC=C(C(C)(C)C)C=C3)=O)O
KR-32568
CAS:852146-73-7
Formula: C13H12FN3O2
23968
FC1=CC=C(C)C(C2=CC=C(C(NC(N)=N)=O)O2)=C1
KR-33493
CAS:1021497-97-1
Formula: C20H18BrN3O3S
22071
BrC1=CC=C(SCC(NC2=CN(CCC3=CC=CC=C3)N=C2C(O)=O)=O)C=C1
KRESOXIM-METHYL
CAS:143390-89-0
Formula: C18H19NO4
25816
CO/N=C(C(OC)=O)\C1=CC=CC=C1COC2=CC=CC=C2C
KRESOXIM-METHYL-D7
Formula: C18H12D7NO4
39603
CO/N=C(C(OC)=O)\C1=CC=CC=C1COC2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])([2H])[2H]
KRIBB11
CAS:342639-96-7
Formula: C13H12N6O2
9.00253e+006
CNC1=NC(NC2=CC=C(NN=C3)C3=C2)=C([N+]([O-])=O)C=C1
KRIBB3
CAS:129414-88-6
Formula: C19H19NO4
23973
OC1=CC(OC)=C(CC)C=C1C2=C(C3=CC=C(OC)C=C3)C=NO2
KRN 633
CAS:286370-15-8
Formula: C20H21ClN4O4
14871
COC(C(OC)=C1)=CC2=C1C(OC3=CC(Cl)=C(NC(NCCC)=O)C=C3)=NC=N2
KRN 7000
CAS:158021-47-7
Formula: C50H99NO9
11208
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@H](NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
KRP 203
CAS:509088-69-1
Formula: C24H26ClNO3S • HCl
1.00104e+007
Cl.OCC(N)(CO)CCc1ccc(Sc2cccc(Oc3ccccc3)c2)cc1Cl
KRP 297
CAS:213252-19-8
Formula: C20H17F3N2O4S
33699
COC(C(C(NCC1=CC=C(C(F)(F)F)C=C1)=O)=C2)=CC=C2CC3C(NC(S3)=O)=O
KS-176
CAS:1253452-78-6
Formula: C22H19N3O5
22201
O=C(NC1=C(C(NC2=CC=C(CCO)C=C2)=O)C=CC=C1)C3=CC=C([N+]([O-])=O)C=C3
KSL-128114 (trifluoroacetate salt)
Formula: C96H165N39O21 • XCF3COOH
36984
OC(C(F)(F)F)=O.N=C(N)NCCC[C@@H](NC(C)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@H](CCCNC(N)=N)C(NCC(N[C@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CC1=CN=CN1)C(N[C@H](C(N[C@@H](C(C)(C)C)C(N[C@@H](C2CCCC
KT 5720
CAS:108068-98-0
Formula: C32H31N3O5
1.0011e+007
C[C@@]1([C@](O)(C(OCCCCCC)=O)C2)N(C3=CC=CC=C43)C5=C4C(CNC6=O)=C6C(C7=CC=CC=C87)=C5N8[C@H]2O1
KT 5823
CAS:126643-37-6
Formula: C29H25N3O5
1.0011e+007
C[C@]1([C@@]2(OC)C(OC)=O)N(C3=CC=CC=C43)C5=C4C(CN6C)=C(C6=O)C(C7=CC=CC=C87)=C5N8[C@@H](C2)O1
KT109
CAS:1402612-55-8
Formula: C27H26N4O
18933
O=C(N1N=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=C1)N4C(CC5=CC=CC=C5)CCCC4
KT109 N2 REGIOISOMER
CAS:2749638-90-0
Formula: C27H26N4O
26127
O=C(N1C(CC2=CC=CC=C2)CCCC1)N3N=CC(C4=CC=C(C5=CC=CC=C5)C=C4)=N3
KT172
CAS:1402612-56-9
Formula: C28H28N4O2
19112
O=C(N1N=NC(C2=CC=C(C3=C(OC)C=CC=C3)C=C2)=C1)N4C(CC5=CC=CC=C5)CCCC4
KT182
CAS:1402612-62-7
Formula: C27H26N4O2
15404
O=C(N1N=NC(C2=CC=C(C3=CC=CC(CO)=C3)C=C2)=C1)N4C(C5=CC=CC=C5)CCCC4
KT185
CAS:1472640-86-0
Formula: C32H33N5O2
19113
O=C(N1N=NC(C2=CC=C(C3=CC=CC(C(N4CCCCC4)=O)=C3)C=C2)=C1)N5C(C6=CC=CC=C6)CCCC5
KT203
CAS:1402612-64-9
Formula: C28H26N4O3
14819
O=C(N1N=NC(C2=CC=C(C3=CC=CC(C(O)=O)=C3)C=C2)=C1)N4C(CC5=CC=CC=C5)CCCC4
KU-55933
CAS:587871-26-9
Formula: C21H17NO3S2
16336
O=C1C=C(C2=C(SC(C=CC=C3)=C3S4)C4=CC=C2)OC(N5CCOCC5)=C1
KU-60019
CAS:925701-46-8
Formula: C30H33N3O5S
17502
O=C1C=C(C2=CC=CC3=C2SC4=C(C=C(NC(CN5C[C@H](C)O[C@H](C)C5)=O)C=C4)C3)OC(N6CCOCC6)=C1
KUKOAMINE A
CAS:75288-96-9
Formula: C28H42N4O6
25139
OC1=C(O)C=CC(CCC(NCCCNCCCCNCCCNC(CCC2=CC(O)=C(O)C=C2)=O)=O)=C1
KUKOAMINE B
CAS:164991-67-7
Formula: C28H42N4O6
21091
OC1=C(O)C=CC(CCC(N(CCCCNCCCNC(CCC2=CC(O)=C(O)C=C2)=O)CCCN)=O)=C1
KUMATAKENIN
CAS:3301-49-3
Formula: C17H14O6
35514
O=C1C(OC)=C(C2=CC=C(O)C=C2)OC3=CC(OC)=CC(O)=C13
KUMBICIN C
CAS:1878151-58-6
Formula: C28H24N2O3
25015
CC1(C)C=CC2=C(C3=CNC4=C3C=CC=C4)C(O)=C(OC)C(C5=CNC6=C5C=CC=C6)=C2O1
KUS121
CAS:1357164-52-3
Formula: C22H16FN4O3S • Na
30297
CC1=C(C2=CC=C(/N=N/C3=CC(S([O-])(=O)=O)=C(C=CC=C4)C4=C3N)C=N2)C=CC(F)=C1.[Na+]
KUWANON C
CAS:62949-79-5
Formula: C25H26O6
33421
O=C1C2=C(C=C(C(C/C=C(C)\C)=C2OC(C3=C(O)C=C(O)C=C3)=C1C/C=C(C)\C)O)O
KW 2449
CAS:1000669-72-6
Formula: C20H20N4O
22207
O=C(C1=CC=C(/C=C/C2=NNC3=C2C=CC=C3)C=C1)N4CCNCC4
KW 2478
CAS:819812-04-9
Formula: C30H42N2O9
22418
COC1=CC(C(C2=C(CC(N(CCOC)CCOC)=O)C(CC)=C(O)C=C2O)=O)=CC=C1OCCN3CCOCC3
KW 3902
CAS:136199-02-5
Formula: C20H28N4O2
11940
O=C(N(CCC)C1=C2N=C([C@]34C[C@@H]5C[C@H]3C[C@H](C4)C5)N1)N(CCC)C2=O
KX1-004
CAS:518058-84-9
Formula: C16H13FN2O2
22198
FC1=CC=C2C(C=C(C(NCC3=CC=CC(O)=C3)=O)N2)=C1
KX2-391
CAS:897016-82-9
Formula: C26H29N3O3
21429
O=C(CC1=NC=C(C2=CC=C(OCCN3CCOCC3)C=C2)C=C1)NCC4=CC=CC=C4
KY 02111
CAS:1118807-13-8
Formula: C18H17ClN2O3S
14315
ClC1=CC=C2C(SC(NC(CCC3=CC=C(OC)C(OC)=C3)=O)=N2)=C1
KY 05009
CAS:1228280-29-2
Formula: C18H16N4O2S
29552
NC(C1=C(NC(C2=CC=C(C)C=C2)=O)SC(NC3=CC=CC=C3)=N1)=O
KY 19382
CAS:2226664-93-1
Formula: C17H11Cl2N3O2
37579
O=C1NC2=C(C1=C3NC4=C(C3=NOC)C=CC=C4)C=C(Cl)C(Cl)=C2
KYA1797K
CAS:1956356-56-1
Formula: C17H11N2O6S2 • K
29221
O=C(N(CCC([O-])=O)C(S/1)=S)C1=C\C2=CC=C(C3=CC=C([N+]([O-])=O)C=C3)O2.[K+]
KYL (trifluoroacetate salt)
Formula: C74H108N14O17 • XCF3COOH
36911
O=C(N1[C@@H](CCC1)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)=O)=O)[C@@H](NC([C@H](CC2=CC=C(C=C2)O)NC([C@H]3N(CCC3)C([C@H](CC(C)C)NC([C@@H](NC([C@@H](N)CCCCN)=O)CC4=CC=C(C=C4)O)=O)=O)=O)=O)CC5=CNC6=CC=CC=C56
KYNURENIC ACID (HYDRATE)
CAS:345909-35-5
Formula: C10H7NO3 • XH2O
16792
OC(C1=NC2=CC=CC=C2C(O)=C1)=O
KYNURENIC ACID-D5
CAS:350820-13-2
Formula: C10H2D5NO3
36306
OC1=C([2H])C(C(O)=O)=NC2=C1C([2H])=C([2H])C([2H])=C2[2H]
KYP-2047
CAS:796874-99-2
Formula: C20H25N3O2
39180
O=C(N1CCC[C@H]1C(N2CCC[C@H]2C#N)=O)CCCC3=CC=CC=C3
L-(+)-CYSTATHIONINE
CAS:56-88-2
Formula: C7H14N2O4S
16061
OC([C@@H](N)CCSC[C@H](N)C(O)=O)=O
L-(+)-ERGOTHIONEINE
CAS:497-30-3
Formula: C9H15N3O2S
14905
C[N+](C)([C@@H](CC(N1)=CNC1=S)C([O-])=O)C
L-(+)-ERYTHROSE
CAS:533-49-3
Formula: C4H8O4
20381
OC[C@H](O)[C@H](O)C=O
L-(-)-A-METHYLDOPA
CAS:555-30-6
Formula: C10H13NO4
21814
OC1=C(O)C=CC(C[C@](C)(N)C(O)=O)=C1
L-(-)-FUCOSE
CAS:2438-80-4
Formula: C6H12O5
16479
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O
L-(-)-GLUCOSE
CAS:921-60-8
Formula: C6H12O6
20829
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O
L-(–)-SORBOSE
CAS:87-79-6
Formula: C6H12O6
26812
OC[C@H](O)[C@@H](O)[C@H](O)C(CO)=O
L-006,235
CAS:294623-49-7
Formula: C24H30N6O2S
28843
O=C(NC1(C(NCC#N)=O)CCCCC1)C2=CC=C(C3=CSC(N4CCN(C)CC4)=N3)C=C2
L-156,602
CAS:125228-51-5
Formula: C38H64N8O13
23896
O=C(CNC([C@H](C)N(O)C([C@](CCCN1)([H])N1C([C@](NC([C@](O)(C)[C@@]2(O)CC[C@H](C[C@@H](C)CC)[C@@H](C)O2)=O)([H])[C@H](C(C)C)OC([C@@H](C)N3O)=O)=O)=O)=O)N4[C@](CCCN4)([H])C3=O
L-161,982
CAS:147776-06-5
Formula: C32H29F3N4O4S2
1.00116e+007
CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1sccc1C)c1ccccc1C(F)(F)F
L-165,041
CAS:79558-09-1
Formula: C22H26O7
9.00025e+006
CC(C1=CC=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C(CCC)=C1O)=O
L-168,049
CAS:191034-25-0
Formula: C24H20BrClN2O
41112
BrC1=CC=C(OCCC)C(C2=C(C3=CC=NC=C3)NC(C4=CC=C(Cl)C=C4)=C2)=C1
L-2-AMINOBUTYRIC ACID
CAS:1492-24-6
Formula: C4H9NO2
38750
OC([C@H](CC)N)=O
L-368,899 (HYDROCHLORIDE)
CAS:160312-62-9
Formula: C26H42N4O5S2 • HCl
29868
O=C([C@@H](N)CCS(C)(=O)=O)N[C@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(N3CCN(C4=C(C)C=CC=C4)CC3)(=O)=O.Cl
L-655,708
CAS:130477-52-0
Formula: C18H19N3O4
30322
COC1=CC(C(N2[C@@]3([H])CCC2)=O)=C(C=C1)N4C3=C(C(OCC)=O)N=C4
L-681,217
Formula: C36H53NO10
26689
C[C@H]([C@H](OC)/C(C)=C/C=C/CNC([C@@H](CC)[C@@]1(O)O[C@](/C=C\C=C/C)([H])C(C)(O)[C@@H](O)C1)=O)[C@]2([H])O[C@](/C=C/C=C/C=C/C(O)=O)([H])[C@@H](O)C2
L-685,458
CAS:292632-98-5
Formula: C39H52N4O6
14926
CC(OC(N[C@H]([C@@H](C[C@H](C(N[C@H](C(N[C@H](C(N)=O)CC1=CC=CC=C1)=O)CC(C)C)=O)CC2=CC=CC=C2)O)CC3=CC=CC=C3)=O)(C)C
L-694,247
CAS:137403-12-4
Formula: C20H21N5O3S
35475
O=S(NC1=CC=C(CC2=NOC(C3=CC=C4NC=C(CCN)C4=C3)=N2)C=C1)(C)=O
L-694,247 (trifluoroacetate salt)
Formula: C20H21N5O3S • XCF3COOH
40639
NCCC1=CNC(C=C2)=C1C=C2C3=NC(CC4=CC=C(NS(C)(=O)=O)C=C4)=NO3.FC(F)(F)C(O)=O
L-701,324
CAS:142326-59-8
Formula: C21H14ClNO3
30687
ClC1=CC=C2C(NC(C(C3=CC(OC4=CC=CC=C4)=CC=C3)=C2O)=O)=C1
L-732,138
CAS:148451-96-1
Formula: C22H18F6N2O3
30894
CC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(OCC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=O)=O
L-741,626
CAS:81226-60-0
Formula: C20H21ClN2O
22354
ClC1=CC=C(C2(O)CCN(CC3=CNC4=C3C=CC=C4)CC2)C=C1
L-745,870 (hydrochloride)
CAS:866021-03-6
Formula: C18H19ClN4 • 3HCl
37586
ClC1=CC=C(N2CCN(CC2)CC3=CNC4=NC=CC=C43)C=C1.Cl.Cl.Cl
L-748,337
CAS:244192-94-7
Formula: C26H31N3O5S
19643
CC(NCC1=CC=CC(OC[C@@H](O)CNCCC2=CC=C(NS(C3=CC=CC=C3)(=O)=O)C=C2)=C1)=O
L-755,507
CAS:159182-43-1
Formula: C30H40N4O6S
18629
OC1=CC=C(OC[C@@H](O)CNCCC2=CC=C(NS(C3=CC=C(NC(NCCCCCC)=O)C=C3)(=O)=O)C=C2)C=C1
L-778,123
CAS:183499-57-2
Formula: C22H20ClN5O
32504
ClC1=CC(N2C(CN(CC3=CN=CN3CC4=CC=C(C#N)C=C4)CC2)=O)=CC=C1
L-778,123 (HYDROCHLORIDE)
CAS:253863-00-2
Formula: C22H20ClN5O • HCl
22940
ClC1=CC(N2C(CN(CC3=CN=CN3CC4=CC=C(C#N)C=C4)CC2)=O)=CC=C1.Cl
L-779,450
CAS:303727-31-3
Formula: C20H14ClN3O
17807
OC1=CC(C(N2)=C(C3=CC=NC=C3)N=C2C4=CC=CC=C4)=CC=C1Cl
L-798,106
CAS:244101-02-8
Formula: C27H22BrNO4S
11129
O=C(NS(C1=C(OC)C=CC(Br)=C1)(=O)=O)/C=C/C2=CC=CC=C2CC3=CC4=C(C=C3)C=CC=C4
L-826,266
CAS:244101-03-9
Formula: C27H21BrClNO4S
18538
ClC(C=C1/C=C/C(NS(C2=C(OC)C=CC(Br)=C2)(=O)=O)=O)=CC=C1CC3=CC4=CC=CC=C4C=C3
L-838,417
CAS:286456-42-6
Formula: C19H19F2N7O
22007
FC(C=CC(F)=C1)=C1C2=NN=C3N2N=C(OCC4=NC=NN4C)C(C(C)(C)C)=C3
L-A-AMINOADIPIC ACID
CAS:1118-90-7
Formula: C6H11NO4
17579
OC(CCC[C@H](N)C(O)=O)=O
L-A-HYDROXYGLUTARIC ACID (SODIUM SALT)
CAS:63512-50-5
Formula: C5H8O5 • 2Na
11876
OC(CC[C@H](O)C(O)=O)=O.[Na].[Na]
L-ABRINE
CAS:526-31-8
Formula: C12H14N2O2
34914
OC([C@H](NC)CC1=CNC2=CC=CC=C21)=O
L-ALANINE
CAS:56-41-7
Formula: C3H7NO2
29757
OC([C@@H](N)C)=O
L-ALANINE METHYL ESTER (HYDROCHLORIDE)
CAS:2491-20-5
Formula: C4H9NO2 • HCl
30527
O=C(OC)[C@@H](N)C.Cl
L-ALANINE-D3
CAS:63546-27-0
Formula: C3H4D3NO2
34833
OC([C@@H](N)C([2H])([2H])[2H])=O
L-ALANOSINE
CAS:5854-93-3
Formula: C3H7N3O4
19545
ON(N=O)C[C@H](N)C(O)=O
L-ALANYL-L-GLUTAMINE
CAS:39537-23-0
Formula: C8H15N3O4
21809
NC(CC[C@H](NC([C@H](C)N)=O)C(O)=O)=O
L-ALBIZZIIN
CAS:1483-07-4
Formula: C4H9N3O3
36665
NC(NC[C@H](N)C(O)=O)=O
L-ALLOISOLEUCINE
CAS:1509-34-8
Formula: C6H13NO2
34904
O=C([C@H]([C@@H](CC)C)N)O
L-ALLYLGLYCINE
CAS:16338-48-0
Formula: C5H9NO2
23348
OC([C@@H](N)CC=C)=O
L-ANAP (TRIFLUOROACETATE SALT)
CAS:2287346-69-2
Formula: C15H16N2O3 • CF3COOH
15436
CC(C1=CC2=CC=C(NC[C@H](N)C(O)=O)C=C2C=C1)=O.FC(F)(C(O)=O)F
L-ANAP METHYL ESTER (HYDROCHLORIDE)
Formula: C16H18N2O3 • HCl
15437
CC(C1=CC2=CC=C(NC[C@H](N)C(OC)=O)C=C2C=C1)=O.Cl
L-AP4
CAS:23052-81-5
Formula: C4H10NO5P
14538
OP(CC[C@@H](C(O)=O)N)(O)=O
L-ARABINITOL
CAS:7643-75-6
Formula: C5H12O5
38882
OC[C@@H](C([C@H](CO)O)O)O
L-ARGININE (HYDROCHLORIDE)
CAS:1119-34-2
Formula: C6H14N4O2 • HCl
23703
NC(NCCC[C@H](N)C(O)=O)=N.Cl
L-Arginine-13C6 (hydrochloride)
CAS:201740-91-2
Formula: [13C]6H14N4O2 • HCl
9.00409e+006
N=[13C](N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O.Cl
L-ARGININE-D7 (HYDROCHLORIDE)
CAS:204244-77-9
Formula: C6H7D7N4O2 • HCl
34834
N=C(N)NC([2H])([2H])C([2H])([2H])C([2H])([2H])[C@@](N)([2H])C(O)=O.Cl
L-ASCORBIC ACID
CAS:50-81-7
Formula: C6H8O6
14656
OC1=C(O)[C@]([C@@H](O)CO)([H])OC1=O
L-ASCORBIC ACID 2-PHOSPHATE (MAGNESIUM SALT HYDRATE)
CAS:1713265-25-8
Formula: C6H9O9P • 1.5Mg [XH2O]
16457
O=C1C(OP(O)(O)=O)=C(O)[C@]([C@@H](O)CO)([H])O1.O=C2C(OP(O)(O)=O)=C(O)[C@]([C@@H](O)CO)([H])O2.[Mg].[Mg].[Mg].O
L-ASCORBIC ACID 6-STEARATE
CAS:10605-09-1
Formula: C24H42O7
39142
O[C@H]([C@@](C(O)=C1O)([H])OC1=O)COC(CCCCCCCCCCCCCCCCC)=O
L-ASPARAGINE
CAS:70-47-3
Formula: C4H8N2O3
35022
NC(C[C@H](N)C(O)=O)=O
L-ASPARAGINE (HYDRATE)
CAS:5794-13-8
Formula: C4H8N2O3 • H2O
34519
NC(C[C@H](N)C(O)=O)=O.O
L-ASPARAGINE-D3 (HYDRATE)
CAS:2483831-59-8
Formula: C4H5D3N2O3 • H2O
34835
N[C@](C([2H])([2H])C(N)=O)([2H])C(O)=O.O
L-ASPARTYL-L-PHENYLALANINE
CAS:13433-09-5
Formula: C13H16N2O5
34197
OC(C[C@H](N)C(N[C@H](C(O)=O)CC1=CC=CC=C1)=O)=O
L-AZETIDINE-2-CARBOXYLIC ACID
CAS:2133-34-8
Formula: C4H7NO2
33189
OC([C@@H]1CCN1)=O
L-Azidohomoalanine (hydrochloride)
CAS:942518-29-8
Formula: C4H8N4O2 • HCl
11786
[N-]=[N+]=NCC[C@H](N)C(O)=O.Cl
L-BIOPTERIN
CAS:22150-76-1
Formula: C9H11N5O3
1.00077e+007
NC(N=C1C2=NC([C@@H](O)[C@@H](O)C)=CN1[H])=NC2=O
L-BUTHIONINE-(S,R)-SULFOXIMINE
CAS:83730-53-4
Formula: C8H18N2O3S
14484
O=S(CCCC)(CC[C@H](N)C(O)=O)=N
L-CANALINE
CAS:496-93-5
Formula: C4H10N2O3
9.00236e+006
N[C@@H](CCON)C(O)=O
L-CARNITINE
CAS:541-15-1
Formula: C7H15NO3
21489
[O-]C(C[C@@H](O)C[N+](C)(C)C)=O
L-CARNITINE-D3 (CHLORIDE)
CAS:350818-62-1
Formula: C7H13D3NO3 • Cl
26565
OC(C[C@@H](O)C[N+](C)(C)C([2H])([2H])[2H])=O.[Cl-]
L-Carnitine-d9 (chloride)
CAS:2687961-04-0
Formula: C7H7D9NO3 • Cl
37029
[2H]C([2H])([N+](C([2H])([2H])[2H])(C[C@@H](CC(O)=O)O)C([2H])([2H])[2H])[2H].[Cl-]
L-CARNOSINE
CAS:305-84-0
Formula: C9H14N4O3
29825
OC([C@H](CC1=CN=CN1)NC(CCN)=O)=O
L-CARNOSINE-D4
CAS:2714339-90-7
Formula: C9H10D4N4O3
26781
OC([C@@H](NC(C([2H])([2H])C([2H])([2H])N)=O)CC1=CN=CN1)=O
L-CYCLOSERINE
CAS:339-72-0
Formula: C3H6N2O2
17780
O=C1[C@@H](N)CON1
L-CYSTEINE
CAS:52-90-4
Formula: C3H7NO2S
33309
OC([C@@H](N)CS)=O
L-Cysteine-15N-d3
CAS:1795787-05-1
Formula: C3H4D3[15N]O2S
34838
[15NH2][C@](C([2H])([2H])S)([2H])C(O)=O
L-CYSTEINE-GLUTATHIONE DISULFIDE
CAS:13081-14-6
Formula: C13H22N4O8S2
17582
OC([C@@H](N)CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O)=O
L-CYSTEINESULFINIC ACID (HYDRATE)
CAS:207121-48-0,
Formula: C3H7NO4S • H2O
29597
OC([C@@H](N)CS(O)=O)=O.O
L-CYSTINE
CAS:56-89-3
Formula: C6H12N2O4S2
31727
OC([C@@H](N)CSSC[C@H](N)C(O)=O)=O
L-DEOXYALLIIN
CAS:21593-77-1
Formula: C6H11NO2S
14014
C=CCSC[C@H](N)C(O)=O
L-DOPA
CAS:59-92-7
Formula: C9H11NO4
13248
OC1=CC(C[C@H](N)C(O)=O)=CC=C1O
L-DOPA METHYL ESTER (HYDROCHLORIDE)
CAS:1421-65-4
Formula: C10H13NO4 • HCl
16149
OC1=C(O)C=CC(C[C@H](N)C(OC)=O)=C1.Cl
L-DOPA-D3
CAS:53587-29-4
Formula: C9H8D3NO4
22089
OC1=C([2H])C(C[C@H](N)C(O)=O)=C([2H])C([2H])=C1O
L-ERYTHRO SPHINGANINE (D18:0)
CAS:6036-76-6
Formula: C18H39NO2
24374
OC[C@@H](N)[C@@H](O)CCCCCCCCCCCCCCC
L-ERYTHRO SPHINGOSINE (D18:1)
CAS:6036-75-5
Formula: C18H37NO2
24372
OC[C@@H](N)[C@@H](O)/C=C/CCCCCCCCCCCCC
L-Folinic Acid (calcium salt hydrate)
Formula: C20H21N7O7 • Ca [XH2O]
23833
NC(NC1=C2N(C=O)[C@@H](CNC3=CC=C(C(N[C@H](C([O-])=O)CCC([O-])=O)=O)C=C3)CN1)=NC2=O.[Ca+2].O
L-FUCITOL
CAS:13074-06-1
Formula: C6H14O5
26540
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C
L-GLUTAMIC ACID (AMMONIUM SALT)
CAS:7558-63-6
Formula: C5H9NO4 • NH3
30377
OC([C@@H](N)CCC(O)=O)=O.N
L-GLUTAMIC ACID ?-P-NITROANILIDE (HYDRATE)
CAS:122864-94-2
Formula: C11H13N3O5 • H2O
36209
OC([C@@H](N)CCC(NC(C=C1)=CC=C1[N+]([O-])=O)=O)=O.O
L-GLUTAMINE
CAS:56-85-9
Formula: C5H10N2O3
23716
NC(CC[C@H](N)C(O)=O)=O
L-GLUTAMINE-D5
CAS:14341-78-7
Formula: C5H5D5N2O3
34839
NC(C([2H])([2H])C([2H])([2H])[C@]([2H])(N)C(O)=O)=O
L-GLUTATHIONE, OXIDIZED
CAS:27025-41-8
Formula: C20H32N6O12S2
35825
OC([C@@H](N)CCC(N[C@@H](CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O)C(NCC(O)=O)=O)=O)=O
L-GLUTATHIONE, OXIDIZED (SODIUM SALT)
CAS:103239-24-3
Formula: C20H30N6O12S2 • 2Na
15491
O=C([C@@H](NC(CC[C@@H](C([O-])=O)N)=O)CSSC[C@H](NC(CC[C@@H](C([O-])=O)N)=O)C(NCC(O)=O)=O)NCC(O)=O.[Na+].[Na+]
L-GLUTATHIONE, REDUCED
CAS:70-18-8
Formula: C10H17N3O6S
1.00075e+007
SC[C@H](NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
L-GULOSE
CAS:6027-89-0
Formula: C6H12O6
34049
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
L-HISTIDINOL (HYDROCHLORIDE)
CAS:1596-64-1
Formula: C6H11N3O • 2HCl
18739
OC[C@@H](N)CC1=CNC=N1.Cl.Cl
L-HOMOARGININE (HYDROCHLORIDE)
CAS:1483-01-8
Formula: C7H16N4O2 • HCl
22285
NC(NCCCC[C@H](N)C(O)=O)=N.Cl
L-HOMOCYSTEINE
CAS:6027-13-0
Formula: C4H9NO2S
30852
SCC[C@H](N)C(O)=O
L-HOMOPROPARGYL GLYCINE (HYDROCHLORIDE)
CAS:942518-19-6
Formula: C6H9NO2 • HCl
11785
C#CCC[C@H](N)C(O)=O.Cl
L-HOMOSERINE LACTONE (HYDROCHLORIDE)
CAS:2185-03-7
Formula: C4H7NO2 • HCl
31492
O=C1[C@@H](N)CCO1.Cl
L-HYDROXY ARGININE (ACETATE)
CAS:53598-01-9
Formula: C6H14N4O3 • XC2H4O2
80300
N=C(NCCC[C@H](N)C(O)=O)NO.CC(O)=O
L-IDURONIC ACID (SODIUM SALT)
CAS:61199-83-5
Formula: C6H9O7 • Na
21066
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.[Na+]
L-Isoleucine-13C6
CAS:201740-82-1
Formula: [13C]6H13NO2
9.00409e+006
[13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](O)=O
L-K6L9 (trifluoroacetate salt)
Formula: C90H174N22O15 • XCF3COOH
38847
[H]N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N)=
L-KYNURENINE
CAS:2922-83-0
Formula: C10H12N2O3
11305
NC1=CC=CC=C1C(C[C@H](N)C(O)=O)=O
L-KYNURENINE-D4
CAS:2672568-86-2
Formula: C10H8D4N2O3
36307
[2H]C1=CC([2H])=C(N)C(C(C([2H])([C@@H](C(O)=O)N)[2H])=O)=C1
L-LEU-AMC (HYDROCHLORIDE)
CAS:62480-44-8
Formula: C16H20N2O3 • HCl
34267
CC(C1=CC=C(NC([C@@H](N)CC(C)C)=O)C=C1O2)=CC2=O.Cl
L-LEUCINE
CAS:61-90-5
Formula: C6H13NO2
34342
CC(C)C[C@H](N)C(O)=O
L-Leucine 4-methoxy-ß-naphthylamide (hydrochloride)
CAS:4467-68-9
Formula: C17H22N2O2 • HCl
16223
COC1=CC(NC([C@H](CC(C)C)N)=O)=CC2=CC=CC=C21.Cl
L-LEUCINE-D10
CAS:106972-44-5
Formula: C6H3D10NO2
34843
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])C([2H])([2H])[C@@](N)([2H])C(O)=O
L-LEUCYL-L-LEUCINE METHYL ESTER (HYDROCHLORIDE)
CAS:6491-83-4
Formula: C13H26N2O3 • HCl
16008
COC([C@@H](NC([C@@H](N)CC(C)C)=O)CC(C)C)=O.Cl
L-Lysine (hydrochloride)
CAS:657-27-2
Formula: C6H14N2O2 • HCl
36455
NCCCC[C@H](N)C(O)=O.Cl
L-LYSINE LACTAM (HYDROCHLORIDE)
CAS:26081-07-2
Formula: C6H12N2O • HCl
31685
N[C@@H]1C(NCCCC1)=O.Cl
L-LYSINE-D3 (HYDROCHLORIDE)
CAS:2330878-43-6
Formula: C6H11D3N2O2 • HCl
34844
N[C@](CCCC([2H])([2H])N)([2H])C(O)=O.Cl
L-METHIONINE SULFOXIDE
CAS:3226-65-1
Formula: C5H11NO3S
36255
CS(CC[C@H](N)C(O)=O)=O
L-METHIONINE-(S,R)-SULFOXIMINE
CAS:15985-39-4
Formula: C5H12N2O3S
27608
N[C@H](C(O)=O)CCS(C)(=N)=O
L-METHIONINE-D3
CAS:13010-53-2
Formula: C5H8D3NO2S
34826
OC([C@@H](N)CCSC([2H])([2H])[2H])=O
L-MIMOSINE
CAS:500-44-7
Formula: C8H10N2O4
14337
OC1=CN(C[C@H](N)C(O)=O)C=CC1=O
L-MOSES (HYDROCHLORIDE)
Formula: C21H24N6 • 2HCl
21288
CN(C)[C@@H](C1=CC=CC=C1)[C@H](C)NC(C2=CC=CC=C23)=NN4C3=NN=C4C.Cl.Cl
L-NAME (HYDROCHLORIDE)
CAS:51298-62-5
Formula: C7H15N5O4 • HCl
80210
[H]N(/C(N([H])CCC[C@H](N)C(OC)=O)=N/[H])[N+]([O-])=O.Cl
L-NIL (HYDROCHLORIDE)
CAS:159190-45-1
Formula: C8H17N3O2 • 2HCl
80310
C/C(N([H])CCCC[C@H](N)C(O)=O)=N/[H].Cl.Cl
L-NIO (HYDROCHLORIDE)
CAS:36889-13-1
Formula: C7H15N3O2 • 2HCl
80320
CC(=N)NCCC[C@H](N)C(=O)O
L-NMMA (ACETATE)
CAS:53308-83-1
Formula: C7H16N4O2 • C2H4O2
1.0005e+007
[H]N(C)C(N([H])CCC[C@H](N)C(O)=O)=N.CC(O)=O
L-NMMA (CITRATE)
Formula: 3[C7H16N4O2] • C6H8O7
80200
CN([H])/C(N([H])CCC[C@@H](C(O)=O)N)=N/[H].OC(CC(O)=O)(C(O)=O)CC(O)=O
L-NNA
CAS:2149-70-4
Formula: C6H13N5O4
80220
N=C(NCCC[C@H](N)C(=O)O)N[N](=O)O
L-NORVALINE
CAS:6600-40-4
Formula: C5H11NO2
34029
CCC[C@H](N)C(O)=O
L-ORNITHINE (HYDROCHLORIDE)
CAS:3184-13-2
Formula: C5H12N2O2 • HCl
30779
NCCC[C@H](N)C(O)=O.Cl
L-ORNITHINE LACTAM (HYDROCHLORIDE)
CAS:42538-31-8
Formula: C5H10N2O • HCl
31683
N[C@@H]1C(NCCC1)=O.Cl
L-P-BROMOTETRAMISOLE (OXALATE)
CAS:62284-79-1
Formula: C11H11BrN2S • C2H2O4
18713
BrC1=CC=C([C@H]2CN3C(SCC3)=N2)C=C1.OC(C(O)=O)=O
L-PHENYLALANINE
CAS:63-91-2
Formula: C9H11NO2
31498
OC([C@@H](N)CC1=CC=CC=C1)=O
L-PHENYLALANINE-13C6
CAS:180268-82-0
Formula: C3[13C]6H11NO2
35195
OC([C@@H](N)C[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)=O
L-PHENYLEPHRINE
CAS:59-42-7
Formula: C9H13NO2
17205
OC1=CC=CC([C@@H](O)CNC)=C1
L-PHENYLEPHRINE (HYDROCHLORIDE)
CAS:61-76-7
Formula: C9H13NO2 • HCl
18619
OC1=CC=CC([C@@H](O)CNC)=C1.Cl
L-PIPECOLIC ACID
CAS:3105-95-1
Formula: C6H11NO2
36313
OC([C@@H]1CCCCN1)=O
L-PROLINE
CAS:147-85-3
Formula: C5H9NO2
30772
OC([C@H]1NCCC1)=O
L-PROLINE-D3
CAS:65807-22-9
Formula: C5H6D3NO2
34846
OC([C@@]1([2H])NC([2H])([2H])CC1)=O
L-PYROGLUTAMIC ACID
CAS:98-79-3
Formula: C5H7NO3
36531
O=C1CC[C@@H](C(O)=O)N1
L-PYROHOMOGLUTAMIC ACID
CAS:34622-39-4
Formula: C6H9NO3
31694
OC([C@H]1NC(CCC1)=O)=O
L-QUISQUALIC ACID
CAS:52809-07-1
Formula: C5H7N3O5
20211
O=C1NC(N(C[C@@H](C(O)=O)N)O1)=O
L-SERINE
CAS:56-45-1
Formula: C3H7NO3
33561
OC([C@@H](N)CO)=O
L-SERINE-13C3
CAS:201595-68-8
Formula: [13C]3H7O3
35126
O[13C]([13C@@H](N)[13CH2]O)=O
L-SERINE-D7
CAS:935275-35-7
Formula: C3D7NO3
34827
[2H]OC([C@](N([2H])[2H])([2H])C([2H])([2H])O[2H])=O
L-TETRAHYDROPALMATINE
CAS:483-14-7
Formula: C21H25NO4
20535
COC1=CC2=C(C=C1OC)CCN3CC4=C(OC)C(OC)=CC=C4C[C@]32[H]
L-THEANINE
CAS:3081-61-6
Formula: C7H14N2O3
20832
OC([C@@H](N)CCC(NCC)=O)=O
L-THREO LYSOSPHINGOMYELIN (D18:1)
CAS:105615-55-2
Formula: C23H49N2O5P
24454
N[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)[C@@H](O)/C=C/CCCCCCCCCCCCC
L-THREO-PPMP (HYDROCHLORIDE)
Formula: C29H50N2O3 • HCl
24525
O=C(CCCCCCCCCCCCCCC)N[C@@H](CN1CCOCC1)[C@@H](O)C2=CC=CC=C2.Cl
L-THREO-SPHINGOSINE (D18:1)
CAS:25695-95-8
Formula: C18H37NO2
1.00105e+007
CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO
L-THREONINE
CAS:72-19-5
Formula: C4H9NO3
30194
C[C@@H](O)[C@H](N)C(O)=O
L-THREONINE-D2
CAS:1202936-45-5
Formula: C4H7D2NO3
34828
C[C@](O)([2H])[C@@](N)([2H])C(O)=O
L-THYROXINE
CAS:51-48-9
Formula: C15H11I4NO4
14116
OC1=C(I)C=C(OC2=C(I)C=C(C[C@H](N)C(O)=O)C=C2I)C=C1I
L-THYROXINE-13C9,15N
CAS:1431868-11-9
Formula: C6[13C]9H11I4[15N]O4
25039
OC1=C(I)C=C(O[13C]2=[13C](I)[13CH]=[13C]([13CH2][13C@H]([15NH2])[13C](O)=O)[13CH]=[13C]2I)C=C1I
L-Thyroxine-N-methylamide
CAS:2088032-52-2
Formula: C16H14I4N2O3
35606
IC(C=C(C=C1I)C[C@H](N)C(NC)=O)=C1OC2=CC(I)=C(C(I)=C2)O
L-TRANS-PYRROLIDINE-2,4-DICARBOXYLIC ACID
CAS:64769-66-0
Formula: C6H9NO4
24268
OC([C@H]1NC[C@H](C(O)=O)C1)=O
L-TRYPTOPHAN
CAS:73-22-3
Formula: C11H12N2O2
29600
N[C@H](C(O)=O)CC1=CNC2=CC=CC=C21
L-TRYPTOPHAN-D5
CAS:62595-11-3
Formula: C11H7D5N2O2
34829
OC([C@@H](N)CC1=C([2H])NC2=C([2H])C([2H])=C([2H])C([2H])=C12)=O
L-Tryptophanamide (hydrochloride)
CAS:5022-65-1
Formula: C11H13N3O • HCl
35769
NC([C@@H](N)CC1=CNC2=CC=CC=C12)=O.Cl
L-Tyrosine (sodium salt hydrate)
CAS:122666-87-9
Formula: C9H11NO3 • 2Na [2H2O]
36333
OC([C@@H](N)CC1=CC=C(C=C1)O)=O.[Na].O.O.[Na]
L-TYROSINE AMIDE
CAS:4985-46-0
Formula: C9H12N2O2
30453
OC1=CC=C(C[C@H](N)C(N)=O)C=C1
L-TYROSINE-13C9,15N
CAS:202407-26-9
Formula: [13C]9H11[15N]O3
31256
O[13C]1=[13CH][13CH]=[13C]([13CH2][13C@H]([15NH2])[13C](O)=O)[13CH]=[13CH]1
L-VALACYCLOVIR (HYDROCHLORIDE)
CAS:124832-27-5
Formula: C13H20N6O4 • HCl
23801
NC(NC1=C2N=CN1COCCOC([C@@H](N)C(C)C)=O)=NC2=O.Cl
L-VALACYCLOVIR-D8 (HYDROCHLORIDE)
CAS:1279033-32-7
Formula: C13H12D8N6O4 • HCl
31479
NC(NC1=C2N=CN1COCCOC([C@](N)([2H])C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=O)=NC2=O.Cl
L-VALINE
CAS:72-18-4
Formula: C5H11NO2
38709
O=C([C@H](C(C)C)N)O
L-VALINE-D8
CAS:35045-72-8
Formula: C5H3D8NO2
34830
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])[C@@](N)([2H])C(O)=O
L002
CAS:321695-57-2
Formula: C15H15NO5S
17778
COC1=CC=C(S(O/N=C2C=C(C)C(C(C)=C\2)=O)(=O)=O)C=C1
L189
CAS:64232-83-3
Formula: C11H10N4OS
18374
NC(N1)=C(/N=C/C2=CC=CC=C2)C(NC1=S)=O
L67
CAS:325970-71-6
Formula: C16H14Br2N4O4
22941
OC1=CC=C([N+]([O-])=O)C=C1/C=N/NC(CNC2=CC(Br)=C(C)C(Br)=C2)=O
L6H21
CAS:24533-47-9
Formula: C18H18O4
35284
COC1=C(C=CC=C1OC)/C=C/C(C2=CC=C(C=C2)OC)=O
L82-G17
CAS:92285-87-5
Formula: C11H9ClN4O2
41041
O=C1NN=CC(NN=CC2=CC(O)=CC=C2)=C1Cl
Labetalol (hydrochloride)
CAS:32780-64-6
Formula: C19H24N2O3 • HCl
26289
OC1=CC=C(C(CNC(C)CCC2=CC=CC=C2)O)C=C1C(N)=O.Cl
Labetalol (hydrochloride)
CAS:32780-64-6
Formula: C19H24N2O3 • HCl
20249
OC1=CC=C(C(CNC(C)CCC2=CC=CC=C2)O)C=C1C(N)=O.Cl
LABETALOL-D5 (HYDROCHLORIDE)
CAS:2713514-78-2
Formula: C19H19D5N2O3 • HCl
31609
OC1=CC=C(C(CNC(C)CCC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])O)C=C1C(N)=O.Cl
LACHNONE A
CAS:903892-99-9
Formula: C11H10O4
26462
CC1=CC(O)=C(C(C(O)=C(C)O2)=O)C2=C1
LACIDIPINE
CAS:103890-78-4
Formula: C26H33NO6
28270
CC1=C(C(OCC)=O)C(C2=C(/C=C/C(OC(C)(C)C)=O)C=CC=C2)C(C(OCC)=O)=C(C)N1
LACOSAMIDE-D3
CAS:1217689-95-6
Formula: C13H15D3N2O3
25426
O=C([C@H](NC(C)=O)COC([2H])([2H])[2H])NCC1=CC=CC=C1
LACTACYSTIN
CAS:133343-34-7
Formula: C15H24N2O7S
70980
O=C(SC[C@@H](C(O)=O)N(C(C)=O)[H])[C@@]1(N([H])C([C@H](C)[C@@H]1O)=O)[C@H](C(C)C)O
LACTISOLE
CAS:150436-68-3
Formula: C10H11O4 • Na
18657
COC1=CC=C(OC(C)C([O-])=O)C=C1.[Na+]
LACTO-N-TETRAOSE
CAS:14116-68-8
Formula: C26H45NO21
39034
CC(N[C@H]([C@H]([C@@H]1O)O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]([C@@H]2O)CO)[C@@H](O[C@@H]1CO)O[C@@H]([C@H]([C@H]3CO)O)[C@H]([C@@H](O3)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O)=O
LACTOBIONIC ACID
Formula: C12H22O12 (for acid)
18926
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(O)=O)O1.OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)=O)[C@H](O)[C@@H](O)[C@H]2O
Lactosylceramide (bovine buttermilk)
CAS:4682-48-8
Formula: C53H101NO13 (for tricosanoyl)
27197
O[C@H]1[C@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H](OC[C@H](NC([R])=O)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]1O
Lactosylceramide (porcine RBC)
Formula: C48H91NO13 (for stearoyl)
16983
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]2[C@@H](CO)O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)[C@H]2O
LACTOSYLSPHINGOSINE (D18:1)
CAS:109785-20-8
Formula: C30H57NO12
24868
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@H](O)[C@H]2O)[C@@H](CO)O1
LACTOSYLSPHINGOSINE (D18:1) (SYNTHETIC)
CAS:109785-20-8
Formula: C30H57NO12
24867
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@H](O)[C@H]2O)[C@@H](CO)O1
Lactoyl Phenylalanine
CAS:183241-73-8
Formula: C12H15NO4
37304
C[C@H](O)C(N[C@H](C(O)=O)CC1=CC=CC=C1)=O
LACTULOSE
CAS:4618-18-2
Formula: C12H22O11
23795
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@]([C@H](O)CO)([H])[C@H](O)C(CO)=O)O1
LAFUTIDINE
CAS:118288-08-7
Formula: C22H29N3O4S
30275
O=C(CS(CC1=CC=CO1)=O)NC/C=C\COC2=CC(CN3CCCCC3)=CC=N2
LAGOCHILINE
CAS:23554-81-6
Formula: C20H36O5
13955
C[C@@]([C@](CC1)([H])[C@]2(C)CO)(CC[C@@H]2O)[C@@]3([C@@H]1C)O[C@@](CCO)(CO)CC3
LAGOSIN
CAS:6834-98-6
Formula: C35H58O12
20600
C/C1=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC([C@@]([C@H](O)CCCCC)([H])[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H]1O)=O
LALISTAT 1
CAS:501104-16-1
Formula: C12H18N4O3S
23891
O=C(N1CCOCC1)OC2=NSN=C2N3CCCCC3
LALISTAT 2
CAS:1234569-09-5
Formula: C13H20N4O2S
25347
O=C(N1CCCCC1)OC2=NSN=C2N3CCCCC3
LAMEVUDINE
CAS:443642-29-3
Formula: C12H16N4O4
39925
O[C@H]1[C@](O)(C)[C@H](N2C3=NC=NC(N)=C3C=C2)O[C@@H]1CO
LAMININ (925-933)
CAS:110590-60-8
Formula: C40H62N12O14S
31141
O=C([C@H]1N(C([C@H](CC(O)=O)NC([C@@H](N)CS)=O)=O)CCC1)NCC(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H](C(NCC(N[C@@H](CO)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)[C@@H](C)CC)=O)=O
LAMIVUDINE
CAS:134678-17-4
Formula: C8H11N3O3S
18514
OC[C@@H]1O[C@H](N2C(N=C(N)C=C2)=O)CS1
LANICEMINE
CAS:153322-05-5
Formula: C13H14N2
9.00213e+006
N[C@H](C1=CC=CC=C1)CC2=CC=CC=N2
LANIFIBRANOR
CAS:927961-18-0
Formula: C19H15ClN2O4S2
25572
O=S(C1=CC(SC=N2)=C2C=C1)(N3C(CCCC(O)=O)=CC4=C3C=CC(Cl)=C4)=O
LANINAMIVIR OCTANOATE
CAS:203120-46-1
Formula: C21H36N4O8
40850
OC(C1=C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([C@@H]([C@@H](COC(CCCCCCC)=O)O)OC)([H])O1)=O
LANOSTEROL
CAS:79-63-0
Formula: C30H50O
19521
O[C@H]1CC[C@@]2(C)[C@](CCC3=C2CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CC/C=C(C)/C)([H])C1(C)C
LANRAPLENIB
CAS:1800046-95-0
Formula: C23H25N9O
32518
NC1=NC(C2=CN3C=CN=C3C(NC4=CC=C(N5CCN(C6COC6)CC5)C=C4)=N2)=CN=C1
LANREOTIDE (ACETATE)
CAS:127984-74-1
Formula: C54H69N11O10S2 • XC2H4O2
24084
O=C1[C@H](C(C)C)NC([C@@](CCCCN)([H])NC([C@@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CC4=CC=C(O)C=C4)NC([C@](NC([C@H](N)CC5=CC(C=CC=C6)=C6C=C5)=O)([H])CSSC[C@@H](C(N[C@@H]([C@@H](C)O)C(N)=O)=O)N1)=O)=O)=O)=O.OC(C)=O
LANSOPRAZOLE
CAS:103577-45-3
Formula: C16H14F3N3O2S
13627
CC1=C(CS(C2=NC(C=CC=C3)=C3N2)=O)N=CC=C1OCC(F)(F)F
LANSOPRAZOLE N-OXIDE
CAS:213476-12-1
Formula: C16H14F3N3O3S
35427
O=S(C1=NC2=CC=CC=C2N1)CC3=C(C)C(OCC(F)(F)F)=CC=[N]3=O
LANSOPRAZOLE SULFONE
CAS:131926-99-3
Formula: C16H14F3N3O3S
22569
CC1=C(CS(C2=NC(C=CC=C3)=C3N2)(=O)=O)N=CC=C1OCC(F)(F)F
LANSOPRAZOLE SULFONE N-OXIDE
CAS:953787-54-7
Formula: C16H14F3N3O4S
35450
O=S(CC1=C(C)C(OCC(F)(F)F)=CC=[N]1=O)(C2=NC3=CC=CC=C3N2)=O
LANSOPRAZOLE-D4
CAS:934294-22-1
Formula: C16H10D4F3N3O2S
25227
CC1=C(CS(C2=NC(C([2H])=C([2H])C([2H])=C3[2H])=C3N2)=O)N=CC=C1OCC(F)(F)F
LAP (trifluoroacetate salt)
Formula: C99H141N23O27S • XCF3COOH
36982
OC(C(F)(F)F)=O.C[C@H](N)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H](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@H](CC)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(NCC(N[C@H](C(N[C@@H](CC2=CC=CC=C2)C(N)=O)=O
LAPACHOL
CAS:84-79-7
Formula: C15H14O3
30190
O=C1C(C/C=C(C)/C)=C(O)C(C2=CC=CC=C21)=O
LAPATINIB
CAS:231277-92-2
Formula: C29H26ClFN4O4S
11493
O=S(CCNCC(O1)=CC=C1C2=CC3=C(N=CN=C3NC4=CC=C(OCC5=CC(F)=CC=C5)C(Cl)=C4)C=C2)(C)=O
LAPATINIB-D4 (TOSYLATE)
CAS:2749856-05-9
Formula: C29H22ClD4FN4O4S • 2C7H8O3S
25459
O=S(C([2H])([2H])C([2H])([2H])NCC(O1)=CC=C1C2=CC3=C(N=CN=C3NC4=CC=C(OCC5=CC(F)=CC=C5)C(Cl)=C4)C=C2)(C)=O.OS(C6=CC=C(C)C=C6)(=O)=O.OS(C7=CC=C(C)C=C7)(=O)=O
LAQ824
CAS:404951-53-7
Formula: C22H25N3O3
16427
O=C(NO)/C=C/C1=CC=C(CN(CCC2=CNC3=C2C=CC=C3)CCO)C=C1
LAQUINIMOD
CAS:248281-84-7
Formula: C19H17ClN2O3
24187
ClC1=C(C(O)=C(C(N(CC)C2=CC=CC=C2)=O)C(N3C)=O)C3=CC=C1
LARIATIN A
CAS:732286-09-8
Formula: C94H143N27O25
28165
O=C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CC3=CN=CN3)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(N[C@]([C@@H](C)CC)([H])C(N[C@@H](CCCCN)C(N4CCC[C@H]4C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC(NCC(N[C@@H]
LARIXYL ACETATE
CAS:4608-49-5
Formula: C22H36O3
35309
C[C@]12[C@@](C(C)(CCC2)C)([H])[C@H](CC([C@@H]1CC[C@](C)(O)C=C)=C)OC(C)=O
LAS101057
CAS:925676-48-8
Formula: C18H14FN5O
28435
O=C(C1CC1)NC2=CN=C(C3=CC=NC=C3F)C(C4=CN=CC=C4)=N2
LAS191859
CAS:1420071-13-1
Formula: C24H24F3N3O3
20238
CCN(C(C1CC1)=O)CC2=CC(C(F)(F)F)=CC=C2N3C=C(CC(O)=O)C4=C3N=C(C)C=C4
LASMIDITAN
CAS:439239-90-4
Formula: C19H18F3N3O2
28369
O=C(NC1=NC(C(C2CCN(C)CC2)=O)=CC=C1)C3=C(F)C=C(F)C=C3F
LASOFOXIFENE
CAS:180916-16-9
Formula: C28H31NO2
21754
OC(C=C1)=CC2=C1[C@@H](C3=CC=C(OCCN4CCCC4)C=C3)[C@@H](C5=CC=CC=C5)CC2
LASOFOXIFENE (TARTRATE)
CAS:190791-29-8
Formula: C28H31NO2 • C4H6O6
17646
OC(C=C1)=CC2=C1[C@@H](C3=CC=C(OCCN4CCCC4)C=C3)[C@@H](C5=CC=CC=C5)CC2.OC([C@@H](O)[C@H](O)C(O)=O)=O
LATANOPROST AMIDE
CAS:919281-21-3
Formula: C23H35NO4
25245
O[C@@H]1[C@H](C/C=C\CCCC(N)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1
LATANOPROST DIMETHYL AMIDE
Formula: C25H39NO4
25247
O[C@@H]1[C@H](C/C=C\CCCC(N(C)C)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1
LATANOPROST LACTOL
CAS:352276-28-9
Formula: C18H26O4
70049
O[C@@H]1C[C@H]2[C@H](CC(O)O2)[C@H]1CC[C@@H](O)CCC3=CC=CC=C3
LATANOPROST LACTONE DIOL
CAS:145667-75-0
Formula: C18H24O4
70039
O[C@@H]1C[C@H]2[C@H](CC(O2)=O)[C@H]1CC[C@@H](O)CCC3=CC=CC=C3
LATEROPYRONE
CAS:93752-78-4
Formula: C15H10O8
26463
CC(OC1=C2C(O)=C3C(C(O)=C(C(OC)=O)OC3=O)=C1)=CC2=O
LATHOSTEROL
CAS:80-99-9
Formula: C27H46O
9.0031e+006
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
LATRUNCULIN B
CAS:76343-94-7
Formula: C20H29NO5S
1.00106e+007
C/C(CC/C=C\[C@@H](C)CC[C@@H]1C[C@@H]2C[C@@]([C@@]3([H])NC(SC3)=O)(O)O1)=C/C(O2)=O
LATS-IN-1
CAS:1424635-83-5
Formula: C18H14N4OS
36623
O=C(C1=CNC2=C1C=CC=N2)N=C3SC=CN3CC4=CC=CC=C4
LAU-0901
CAS:727358-25-0
Formula: C29H39Cl2N3O7
38414
O=C(C1=C(C)NC(C)=C(C1C)C(OC(CN2CCOCC2)CN3CCOCC3)=O)OCCOC4=CC=C(C(Cl)=C4)Cl
LAU-159
CAS:2055050-87-6
Formula: C17H12ClN3O2
26336
ClC1=CC2=C(C=C1)NC=C3C2=NN(C4=CC=CC(OC)=C4)C3=O
LAURDAN
CAS:74515-25-6
Formula: C24H35NO
19706
CN(C)C1=CC=C2C(C=CC(C(CCCCCCCCCCC)=O)=C2)=C1
LAURIC ACID
CAS:143-07-7
Formula: C12H24O2
1.00066e+007
CCCCCCCCCCCC(O)=O
LAURIC ACID-13C
CAS:93639-08-8
Formula: C11[13C]H24O2
29462
O[13C](CCCCCCCCCCC)=O
LAURIC ACID-D2
CAS:64118-39-4
Formula: C12H22D2O2
29410
OC(C([2H])([2H])CCCCCCCCCC)=O
LAURIC ACID-D23
CAS:59154-43-7
Formula: C12HD23O2
28080
[2H]C(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])([2H])C(O)=O
LAUROYL-DL-CARNITINE (CHLORIDE)
CAS:14919-37-0
Formula: C19H38NO4 • Cl
16006
OC(CC(C[N+](C)(C)C)OC(CCCCCCCCCCC)=O)=O.[Cl-]
LAUROYL-L-CARNITINE (CHLORIDE)
CAS:6919-91-1
Formula: C19H38NO4 • Cl
26550
OC(C[C@H](C[N+](C)(C)C)OC(CCCCCCCCCCC)=O)=O.[Cl-]
LAUROYL-L-CARNITINE-12,12,12-D3 (CHLORIDE)
Formula: C19H35D3NO4 • Cl
26769
C[N+](C)(C)C[C@H](OC(CCCCCCCCCCC([2H])([2H])[2H])=O)CC(O)=O.[Cl-]
LAUROYL-L-CARNITINE-D3 (CHLORIDE)
CAS:2687960-76-3
Formula: C19H35D3NO4 • Cl
26571
OC(C[C@H](C[N+](C([2H])([2H])[2H])(C)C)OC(CCCCCCCCCCC)=O)=O.[Cl-]
LAVENDUSTIN A
CAS:125697-92-9
Formula: C21H19NO6
1.00103e+007
OC1=CC(CN(C2=CC=C(O)C(C(O)=O)=C2)CC3=CC=CC=C3O)=C(O)C=C1
LAVENDUSTIN B
CAS:125697-91-8
Formula: C21H19NO5
27311
OC1=CC=CC=C1CN(C2=CC(C(O)=O)=C(O)C=C2)CC3=CC=CC=C3O
LAVENDUSTIN C
CAS:125697-93-0
Formula: C14H13NO5
1.00103e+007
Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)O)c1
LAZABEMIDE
CAS:103878-84-8
Formula: C8H10ClN3O
11640
ClC1=CC=C(C(NCCN)=O)N=C1
LAZERTINIB
CAS:1903008-80-9
Formula: C30H34N8O3
29670
COC1=C(NC2=NC=CC(N3N=C(C4=CC=CC=C4)C(CN(C)C)=C3)=N2)C=C(NC(C=C)=O)C(N5CCOCC5)=C1
LB 42708
CAS:226929-39-1
Formula: C30H27BrN4O2
16428
O=C(C1=CN(CC2=CN=CN2CC3=CC=C(Br)C=C3)C=C1C4=CC=CC5=C4C=CC=C5)N6CCOCC6
LB-100
CAS:1632032-53-1
Formula: C13H20N2O4
29105
CN1CCN(C(C2C(C(O)=O)[C@H]3CC[C@@H]2O3)=O)CC1
LB244
Formula: C29H25N5O5
39832
O=C(N[C@@H](C1=NC(C=CC=C2)=C2N1)CCCNC(C3=CC=C([N+]([O-])=O)O3)=O)C(C=C4)=CC=C4C5=CC=CC=C5
LBQ657
CAS:149709-44-4
Formula: C22H25NO5
19829
O=C(CCC(O)=O)N[C@@H](C[C@@H](C)C(O)=O)CC1=CC=C(C2=CC=CC=C2)C=C1
LC3-MHTT-IN-AN1
CAS:486443-73-6
Formula: C15H9Br2NO3
34306
O=C1NC2=CC=C(C=C2C1=CC3=CC(Br)=C(C(O)=C3)O)Br
LCC-12 (formate)
Formula: C16H36N10 • CH2O2
38929
NC(NC(NCCCCCCCCCCCCNC(NC(N)=N)=N)=N)=N.O=CO
LCK INHIBITOR
CAS:213743-31-8
Formula: C23H22N4O
15135
NC1=C2C(C(C=C3)=CC=C3OC4=CC=CC=C4)=CN(C5CCCC5)C2=NC=N1
LCL-161
CAS:1005342-46-0
Formula: C26H33FN4O3S
22420
O=C(N1CCC[C@H]1C2=NC(C(C3=CC=C(F)C=C3)=O)=CS2)[C@@H](NC([C@@H](NC)C)=O)C4CCCCC4
LCS3
CAS:109844-92-0
Formula: C11H7ClN2O4
36636
O=C(NC1=CC=C(Cl)C=C1)C=2OC(=CC2)N(=O)=O
LCZ696
CAS:936623-90-4
Formula: C24H29N5O3 • C24H29NO5 • 5/2H2O • 3Na
23425
O=C(CCCC)N([C@H](C(O)=O)C(C)C)CC1=CC=C(C2=CC=CC=C2C3=NNN=N3)C=C1.C[C@@H](C(OCC)=O)C[C@H](NC(CCC(O)=O)=O)CC(C=C4)=CC=C4C5=CC=CC=C5.O.O.O.[Na].[Na].[Na]
LDAO
CAS:1643-20-5
Formula: C14H31NO
25699
CCCCCCCCCCCC[N+](C)([O-])C
LDC-1267
CAS:1361030-48-9
Formula: C30H26F2N4O5
29459
COC(C(OC)=C1)=CC2=C1N=CC=C2OC3=CC=C(NC(C4=NN(C5=C(C)C=C(F)C=C5)C=C4OCC)=O)C=C3F
LDC-4297
CAS:1453834-21-3
Formula: C23H28N8O
23398
CC(C)C(C=N1)=C(N1C(NCC2=CC=CC=C2N3C=CC=N3)=N4)N=C4OC5CNCCC5
LDC000067
CAS:1073485-20-7
Formula: C18H18N4O3S
29419
COC1=CC=CC=C1C2=NC=NC(NC3=CC(CS(N)(=O)=O)=CC=C3)=C2
LDE225 (PHOSPHATE)
CAS:1218778-77-8
Formula: C26H26F3N3O3 • 2H3PO4
16263
C[C@@H]1CN(C2=NC=C(NC(C3=CC=CC(C4=CC=C(OC(F)(F)F)C=C4)=C3C)=O)C=C2)C[C@H](C)O1.OP(O)(O)=O.OP(O)(O)=O
LDN-0212320
CAS:894002-50-7
Formula: C17H15N3S
21650
CC1=CC=CC=C1CSC(N=N2)=CC=C2C3=CC=CC=N3
LDN-192960 (HYDROCHLORIDE)
CAS:2309172-48-1
Formula: C18H20N2O2S • 2HCl
19089
COC1=CC2=C(SCCCN)C3=CC(OC)=CC=C3N=C2C=C1.Cl.Cl
LDN-193189
CAS:1062368-24-4
Formula: C25H22N6
11802
N1(C2=CC=C(C(C=N3)=CN4C3=C(C5=CC=NC6=C5C=CC=C6)C=N4)C=C2)CCNCC1
LDN-193189 (HYDROCHLORIDE)
CAS:1435934-00-1
Formula: C25H22N6 • 2HCl
19396
N1(C2=CC=C(C(C=N3)=CN4C3=C(C5=CC=NC6=C5C=CC=C6)C=N4)C=C2)CCNCC1.Cl.Cl
LDN-211904
CAS:1198408-78-4
Formula: C19H19ClN4O • C2H2O4
20453
O=C(NC1=C(Cl)C=CC=C1)C2=CN=C(C=C3)N2C=C3C4CCNCC4.OC(C(O)=O)=O
LDN-214117
CAS:1627503-67-6
Formula: C25H29N3O3
18006
COC1=C(OC)C(OC)=CC(C2=C(C)N=CC(C3=CC=C(N4CCNCC4)C=C3)=C2)=C1
LDN-27219
CAS:312946-37-5
Formula: C20H16N4O2S2
32975
O=C(CSC1=NC2=C(C(N1C3=CC=CC=C3)=O)C(C4=CC=CC=C4)=CS2)NN
LDN-57444
CAS:668467-91-2
Formula: C17H11Cl3N2O3
15396
O=C1N(CC2=C(Cl)C=CC(Cl)=C2)C3=CC=C(Cl)C=C3/C1=N/OC(C)=O
LE 135
CAS:155877-83-1
Formula: C29H30N2O2
14415
CC1(C)C2=C(C=C(N(C)C(C=CC=C3)=C3C(C4=CC=C(C(O)=O)C=C4)=N5)C5=C2)C(C)(C)CC1
LECANORIC ACID
CAS:480-56-8
Formula: C16H14O7
22710
CC1=CC(OC(C2=C(C)C=C(O)C=C2O)=O)=CC(O)=C1C(O)=O
LED209
CAS:245342-14-7
Formula: C19H17N3O2S2
16844
S=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)Nc1ccccc1
LEDIPASVIR
CAS:1256388-51-8
Formula: C49H54F2N8O6
18519
FC1(F)C2=C(C=CC(C3=CC(NC([C@H]4N(C([C@H](C(C)C)NC(OC)=O)=O)[C@@H]5CC[C@H]4C5)=N6)=C6C=C3)=C2)C7=CC=C(C8=CN=C([C@@H]9CC%10(CC%10)CN9C([C@H](C(C)C)NC(OC)=O)=O)N8)C=C71
LEDIPASVIR-D6
CAS:2050041-12-6
Formula: C49H48D6F2N8O6
31322
FC(C1=C2C=CC(C(C=C3)=CC4=C3N=C([C@]5([H])[C@H](C6)CC[C@H]6N5C([C@@H](NC(OC([2H])([2H])[2H])=O)C(C)C)=O)N4)=C1)(C7=CC(C8=CN=C([C@@]9([H])N(C([C@@H](NC(OC([2H])([2H])[2H])=O)C(C)C)=O)CC%10(CC%10)C9)N8)=CC=C27)F
LEE011
CAS:1211441-98-3
Formula: C23H30N8O
17666
O=C(N(C)C)C(N1C2CCCC2)=CC(C1=N3)=CN=C3NC(C=C4)=NC=C4N5CCNCC5
LEELAMINE (HYDROCHLORIDE)
CAS:16496-99-4
Formula: C20H31N • HCl
1.00086e+007
CC(C)C(C=C1)=CC2=C1[C@]3(C)[C@](CC2)([H])[C@@](CN)(C)CCC3.Cl
LEFAMULIN
CAS:1061337-51-6
Formula: C28H45NO5S
36285
O=C1CC[C@@]2(CC[C@H]3C)[C@@H](C)[C@H](O)[C@@](C=C)(C)C[C@@H](OC(CS[C@@H]4CC[C@@H](N)C[C@H]4O)=O)[C@@]3(C)[C@@]21[H]
LEFLUNOMIDE-D4
CAS:1189987-23-2
Formula: C12H5D4F3N2O2
26448
O=C(C1=C(C)ON=C1)NC2=C([2H])C([2H])=C(C(F)(F)F)C([2H])=C2[2H]
LEI-106
CAS:1620582-23-1
Formula: C26H27NO6S
16419
OC(CN(S(C1=CC=C(OC(C)(C)CC2)C2=C1)(=O)=O)CC(C=C3)=CC=C3OC4=CC=CC=C4)=O
LEI-110
CAS:2313525-90-3
Formula: C25H23F3N2O3
36789
O=C(C(CCCC1=CC=CC=C1)=O)NCCC2=CC=C(C=C2)OC3=CC=C(C(F)(F)F)C=N3
LEI-401
CAS:2393840-15-6
Formula: C24H31N5O2
31108
O=C(NCC1CC1)C2=CC(N3C[C@@H](O)CC3)=NC(N4C[C@H](C5=CC=CC=C5)CCC4)=N2
LENIOLISIB
CAS:1354690-24-6
Formula: C21H25F3N6O2
28078
COC1=NC=C(N2CC(C(N[C@H]3CCN(C(CC)=O)C3)=NC=N4)=C4CC2)C=C1C(F)(F)F
Lentztrehalose A
CAS:1609356-99-1
Formula: C17H32O13
37732
OC[C@H]([C@H]([C@@H]([C@H]1O)O)OC[C@H](O)C(C)(O)C)O[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
Lentztrehalose B
CAS:1808096-67-4
Formula: C17H30O11
37733
C/C(C)=C/CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CO
Lentztrehalose C
CAS:1808096-68-5
Formula: C17H30O12
37734
OC[C@@H]1[C@]2([H])[C@@](O[C@H](CO2)C(C)(O)C)([H])[C@H]([C@H](O1)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)O
LENVATINIB
CAS:417716-92-8
Formula: C21H19ClN4O4
19375
COC(C(C(N)=O)=C1)=CC2=C1C(OC3=CC(Cl)=C(NC(NC4CC4)=O)C=C3)=CC=N2
LENVATINIB (MESYLATE)
CAS:857890-39-2
Formula: C21H19ClN4O4 • CH3SO3H
29832
COC(C(C(N)=O)=C1)=CC2=C1C(OC3=CC(Cl)=C(NC(NC4CC4)=O)C=C3)=CC=N2.CS(O)(=O)=O
LENVATINIB-D4
CAS:2264050-65-7
Formula: C21H15D4ClN4O4
28615
COC(C(C(N)=O)=C1)=CC2=C1C(OC3=CC(Cl)=C(NC(NC4C([2H])([2H])C4([2H])[2H])=O)C=C3)=CC=N2
LEOIDIN
CAS:105350-54-7
Formula: C18H14Cl2O7
29939
CC1=C(O)C(C(OC)=O)=C(C)C2=C1OC(C3=C(C(Cl)=C(O)C(Cl)=C3C)O2)=O
LEONURINE
CAS:24697-74-3
Formula: C14H21N3O5
26850
COC1=C(O)C(OC)=CC(C(OCCCCNC(N)=N)=O)=C1
LEPIMECTIN A4
CAS:171249-05-1
Formula: C41H53NO10
30072
C/C([C@@H]([C@@H](C)/C=C/C=C1CO[C@]([C@]2\1O)([H])[C@H](O)C(C)=C[C@@]2([H])C3=O)OC(/C(C4=CC=CC=C4)=N/OC)=O)=C\C[C@@]5([H])O[C@@]6(CC[C@H](C)[C@@H](CC)O6)C[C@](O3)([H])C5
LERSIVIRINE
CAS:473921-12-9
Formula: C17H18N4O2
29497
CCC1=C(C(CC)=NN1CCO)OC2=CC(C#N)=CC(C#N)=C2
LESINURAD
CAS:878672-00-5
Formula: C17H14BrN3O2S
23688
BrC1=NN=C(SCC(O)=O)N1C2=C3C(C=CC=C3)=C(C4CC4)C=C2
LETEPRINIM (POTASSIUM SALT)
CAS:192564-13-9
Formula: C15H12N5O4 • K
21748
O=C1C2=C(N(CCC(NC3=CC=C(C([O-])=O)C=C3)=O)C=N2)NC=N1.[K+]
LETERMOVIR
CAS:917389-32-3
Formula: C29H28F4N4O4
17556
OC(C[C@H]1C2=CC=CC(F)=C2N=C(N3CCN(C4=CC(OC)=CC=C4)CC3)N1C5=C(OC)C=CC(C(F)(F)F)=C5)=O
LETROZOLE
CAS:112809-51-5
Formula: C17H11N5
11568
N#CC(C=C1)=CC=C1C(N2C=NC=N2)C3=CC=C(C#N)C=C3
LETROZOLE-D4
CAS:1133712-96-5
Formula: C17H7D4N5
26517
[2H]C(C([2H])=C(C#N)C([2H])=C1[2H])=C1C(N2C=NC=N2)C3=CC=C(C#N)C=C3
LEU-ENKEPHALIN (TRIFLUOROACETATE SALT)
CAS:73563-78-7
Formula: C28H37N5O7 • CF3COOH
23283
OC(C(F)(F)F)=O.CC(C)C[C@@H](C(O)=O)NC([C@@H](NC(CNC(CNC([C@@H](N)CC1=CC=C(C=C1)O)=O)=O)=O)CC2=CC=CC=C2)=O
LEUCANICIDIN
CAS:91021-66-8
Formula: C42H70O13
25479
CO[C@@H](/C=C\C=C(C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(C)\C=C1\OC)[C@@H]([C@@H](C)[C@@H](O)[C@@H]([C@@]2(O)C[C@@H](O[C@@]3([H])[C@H](OC)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](C)[C@@H](C(C)C)O2)C)OC1=O
LEUCETTINE L41
CAS:1112978-84-3
Formula: C17H13N3O3
29225
O=C1N=C(NC2=CC=CC=C2)N/C1=C\C3=CC=C4C(OCO4)=C3
LEUCINOSTATIN A
CAS:76600-38-9
Formula: C62H111N11O13
28190
CC(C)C[C@H](NC([C@H](CC(C)C)NC(C(C)(C)NC([C@H]([C@@H](C(C)C)O)NC([C@@H](NC([C@H]1N(C(/C=C/[C@@H](C)CC)=O)C[C@@H](C)C1)=O)C[C@H](C)C[C@H](O)CC(CC)=O)=O)=O)=O)=O)C(NC(C)(C)C(NC(C)(C)C(NCCC(N[C@@H](C)CN(C)C)=O)=O)=O)=O
LEUCOMYCIN A1
CAS:16846-34-7
Formula: C40H67NO14
20585
O=C1C[C@H]([C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](O1)C)O)C)CC=O)O[C@@]2(O[C@@H]([C@H]([C@@H]([C@H]2O)N(C)C)O[C@]3(C[C@@](O)([C@H]([C@@H](O3)C)OC(CC(C)C)=O)C)[H])C)[H])OC)O
LEUCOMYCIN A13
CAS:78897-52-6
Formula: C41H69NO14
28121
O[C@H]1[C@H](OC)[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O[C@@]3([H])C[C@](O)(C)[C@@H](OC(CCCCC)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(C1)=O
LEUCOMYCIN A4
CAS:18361-46-1
Formula: C41H67NO15
28066
O=C(C)O[C@H]1[C@H](OC)[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O[C@@]3([H])C[C@](O)(C)[C@@H](OC(CCC)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(C1)=O
LEUCOMYCIN A5
CAS:18361-45-0
Formula: C39H65NO14
24177
O=C1C[C@H]([C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](O1)C)O)C)CC=O)O[C@@]2(O[C@@H]([C@H]([C@@H]([C@H]2O)N(C)C)O[C@]3(C[C@@](O)([C@H]([C@@H](O3)C)OC(CCC)=O)C)[H])C)[H])OC)O
LEUKADHERIN 1
CAS:344897-95-6
Formula: C22H15NO4S2
14855
O=C(/C(SC1=S)=C/C2=CC=C(C3=CC=C(C(O)=O)C=C3)O2)N1CC4=CC=CC=C4
LEUKOTRIENE B4 ETHANOLAMIDE
CAS:877459-63-7
Formula: C22H37NO4
20112
CCCCC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO
LEUPEPTIN (HEMISULFATE)
CAS:103476-89-7
Formula: C20H38N6O4 • 1/2H2SO4
14026
O=S(O)(O)=O.O=C(N[C@H](C(N[C@H](C([H])=O)CCCNC(N)=N)=O)CC(C)C)[C@@H](NC(C)=O)CC(C)C.O=C(N[C@H](C(N[C@H](C([H])=O)CCCNC(N)=N)=O)CC(C)C)[C@@H](NC(C)=O)CC(C)C
LEUPRORELIN (ACETATE)
CAS:74381-53-6
Formula: C59H84N16O12 • C2H4O2
22275
O=C([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CNC=N3)NC([C@@H]4CCC(N4)=O)=O)=O)N[C@H](C(N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(N6CCC[C@H]6C(NCC)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)CC(C)C)=O)=O)CO.OC(C)=O
LEVETIRACETAM
CAS:102767-28-2
Formula: C8H14N2O2
9.00182e+006
NC([C@H](CC)N1C(CCC1)=O)=O
LEVETIRACETAM-D6
CAS:1133229-30-7
Formula: C8H8D6N2O2
26457
NC([C@H](CC)N1C(C([2H])([2H])C([2H])([2H])C1([2H])[2H])=O)=O
LEVISTOLIDE A
CAS:88182-33-6
Formula: C24H28O4
34386
CCC/C=C1[C@@]23[C@@]4([H])C5=C(CC[C@@]4([H])[C@H](CC3)C=C2C(O/1)=O)/C(OC5=O)=C/CCC
LEVOBETAXOLOL (HYDROCHLORIDE)
CAS:116209-55-3
Formula: C18H29NO3 • HCl
33435
CC(C)NC[C@H](O)COC1=CC=C(C=C1)CCOCC2CC2.Cl
Levobunolol (hydrochloride)
CAS:27912-14-7
Formula: C17H25NO3 • HCl
21005
CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O.Cl
LEVOBUPIVACAINE (HYDROCHLORIDE)
CAS:27262-48-2
Formula: C18H28N2O • HCl
31596
CC(C=CC=C1C)=C1NC([C@H]2N(CCCC2)CCCC)=O.Cl
Levobupivacaine-d9 (hydrochloride)
Formula: C18H19D9N2O • HCl
38904
CC(C=CC=C1C)=C1NC([C@H]2N(CCCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O.Cl
LEVOCABASTINE (HYDROCHLORIDE)
CAS:79547-78-7
Formula: C26H29FN2O2 • HCl
21014
FC(C=C1)=CC=C1[C@@](CC2)(C#N)CC[C@@H]2N(C[C@H]3C)CC[C@]3(C(O)=O)C4=CC=CC=C4.Cl
LEVODROPROPIZINE
CAS:99291-25-5
Formula: C13H20N2O2
32954
OC[C@@H](O)CN1CCN(C2=CC=CC=C2)CC1
LEVOFLOXACIN (HYDRATE)
CAS:138199-71-0
Formula: C18H20FN3O4 • 0.5H2O
20382
FC1=C(N2CCN(C)CC2)C(OC[C@H](C)N3C=C(C(O)=O)C4=O)=C3C4=C1.FC5=C(N6CCN(C)CC6)C(OC[C@H](C)N7C=C(C(O)=O)C8=O)=C7C8=C5.O
LEVOFLOXACIN N-OXIDE
CAS:117678-38-3
Formula: C18H20FN3O5
27177
FC1=C(N2CCN(CC2)(C)=O)C(OC[C@H](C)N3C=C(C(O)=O)C4=O)=C3C4=C1
LEVOFLOXACIN-D8 (HYDROCHLORIDE)
CAS:2699607-50-4
Formula: C18H12D8FN3O4 • HCl
29080
FC1=C(N2C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C2([2H])[2H])C(OC[C@H](C)N3C=C(C(O)=O)C4=O)=C3C4=C1.Cl
LEVOMEDETOMIDINE (HYDROCHLORIDE)
CAS:190000-46-5
Formula: C13H16N2 • HCl
35201
C[C@@H](C1=CN=CN1)C2=C(C(C)=CC=C2)C.Cl
LEVOMEFOLATE (CALCIUM SALT HYDRATE)
Formula: C20H23N7O6 • Ca [XH2O]
21616
O=C1C2=C(NC[C@H](CNC3=CC=C(C(N[C@H](C([O-])=O)CCC([O-])=O)=O)C=C3)N2C)NC(N)=N1.[Ca+2].O
LEVOMEFOLATE-13C-D3
CAS:1356019-94-7
Formula: C19[13C]H22D3N7O6
29579
O=C1C2=C(NC[C@H](CNC3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)N2[13C]([2H])([2H])[2H])NC(N)=N1
LEVOMILNACIPRAN (HYDROCHLORIDE)
CAS:175131-60-9
Formula: C15H22N2O • HCl
23951
NC[C@@H]1C[C@@]1(C(N(CC)CC)=O)C2=CC=CC=C2.Cl
LEVONORDEFRIN
CAS:829-74-3
Formula: C9H13NO3
23993
OC1=C(O)C=CC([C@@H](O)[C@@H](N)C)=C1
LEVONORGESTREL
CAS:797-63-7
Formula: C21H28O2
1.00063e+007
O[C@@]1(C#C)CC[C@@]2([H])[C@]3([H])CCC4=CC(CC[C@]4([H])[C@@]3([H])CC[C@@]21CC)=O
LEVONORGESTREL-D6
CAS:2376035-98-0
Formula: C21H22D6O2
25231
O[C@@]1(C#C)CC[C@@]2([H])[C@]3([H])CC([2H])([2H])C4=C([2H])C(C([2H])([2H])C[C@]4([2H])[C@@]3([H])CC[C@@]21CC)=O
LEVORIN COMPLEX
CAS:1403-17-4
Formula: C59H86N2O18 (for Levorin A3)
26708
O[C@@H]1[C@]([H])(O[C@H](C[C@H](O)[C@H](C(O)=O)[C@@H](O)CC(C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(CCCC(C2)=O)=O)=O)/C=C/C=C\C=C/C=C\C=C\C=C\C=C\[C@H](C)[C@]([C@@H](C)C[C@H](C)[C@@H](O)CC(C3=CC=C(N)C=C3)=O)([H])OC2=O)O[C@@H]([C@H]([C@@H]1N)O)C
LEVOSIMENDAN
CAS:141505-33-1
Formula: C14H12N6O
16128
O=C1C[C@@H](C)C(C2=CC=C(N/N=C(C#N)\C#N)C=C2)=NN1
LEXITHROMYCIN
CAS:53066-26-5
Formula: C38H70N2O13
22002
C[C@H]1[C@H](O)[C@@](OC)(C)C[C@@](O[C@H]([C@@H](C)C(O[C@H](CC)[C@]([C@H](O)[C@H]/2C)(O)C)=O)[C@H](C)[C@@H](O[C@@]3([H])[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3)[C@](C)(O)C[C@@H](C)C2=N/OC)([H])O1
LF3
CAS:664969-54-4
Formula: C20H24N4O2S2
36164
O=S(N)(C1=CC=C(NC(N2CCN(CC2)CC=CC3=CC=CC=C3)=S)C=C1)=O
LFM-A13
CAS:244240-24-2
Formula: C11H8Br2N2O2
1.00103e+007
C/C(=C(\C#N)/C(=O)Nc1cc(Br)ccc1Br)/O
LG 100268
CAS:153559-76-3
Formula: C24H29NO2
21606
CC1(C)C2=C(C=C(C)C(C3(CC3)C4=NC=C(C(O)=O)C=C4)=C2)C(C)(C)CC1
LG 100754
CAS:180713-37-5
Formula: C26H36O3
19647
CC1(C)C2=C(C=C(/C(C)=C\C=C\C(C)=C\C(O)=O)C(OCCC)=C2)C(C)(C)CC1
LGD 3033
CAS:917891-35-1
Formula: C16H14ClF3N2O
40143
O=C1C=C(C2=C(C(C)=C(CC)N3CC(F)(F)F)C3=CC=C2N1)Cl
LGD 4033
CAS:1165910-22-4
Formula: C14H12F6N2O
9.00205e+006
O[C@@H](C(F)(F)F)[C@@]1([H])CCCN1C2=CC(C(F)(F)F)=C(C#N)C=C2
LGK974
CAS:1243244-14-5
Formula: C23H20N6O
14072
CC1=CC(C2=NC=C(CC(NC3=CC=C(C4=CN=CC=N4)C=N3)=O)C=C2C)=CC=N1
LH 21
CAS:611207-11-5
Formula: C20H20Cl3N3
13453
CCCCCCC1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=N1
LH 846
CAS:639052-78-1
Formula: C16H13ClN2OS
17686
CC1=C(Cl)C=C(N=C(NC(CC2=CC=CC=C2)=O)S3)C3=C1
LH1306
CAS:2182653-84-3
Formula: C38H48N6O6
28727
CC1=C(COC2=CC=C(CNCCNC(C)=O)C(OC)=N2)C=CC=C1C3=C(C)C(COC4=NC(OC)=C(CNCCNC(C)=O)C=C4)=CC=C3
LH1307
CAS:2375720-38-8
Formula: C54H58N8O6
28728
CC1=C(COC2=C(C)C=C(CNCCNC(C)=O)C(OCC3=CN=CC(C#N)=C3)=C2)C=CC=C1C4=C(C)C(COC5=CC(OCC6=CN=CC(C#N)=C6)=C(CNCCNC(C)=O)C=C5C)=CC=C4
LHC165 (hydrate)
Formula: C29H32F2N3O7P • XH2O
38776
NC1=C(N=C2)C(C=C2CCC(C=CC(OCCOCCC(F)(F)[P](O)(O)=O)=C3)=C3C)=C(C=CC(CCC(O)=O)=C4)C4=N1.O
LHW090-A7
Formula: C20H21ClNO4 • Na
18410
ClC1=CC=CC(C2=CC=C(C[C@H](N[C@H](C(OCC)=O)C)C([O-])=O)C=C2)=C1.[Na+]
LIAROZOLE
CAS:115575-11-6
Formula: C17H13ClN4
29491
ClC1=CC=CC(C(N2C=NC=C2)C3=CC=C(N=CN4)C4=C3)=C1
LICOCHALCONE A
CAS:58749-22-7
Formula: C21H22O4
11853
OC1=CC=C(C(/C=C/C2=C(OC)C=C(O)C(C(C)(C)C=C)=C2)=O)C=C1
LICOFELONE
CAS:156897-06-2
Formula: C23H22ClNO2
1.00077e+007
CC1(C)CC2=C(C3=CC=CC=C3)C(C4=CC=C(Cl)C=C4)=C(CC(O)=O)N2C1
LICOFLAVONE C
CAS:72357-31-4
Formula: C20H18O5
35031
O=C1C=C(C2=CC=C(O)C=C2)OC3=C(C/C=C(C)\C)C(O)=CC(O)=C31
Licogliflozin (mixed isomers)
CAS:2730989-98-5
Formula: C23H28O7
35772
CCC(C=C1)=C(CC2=CC=C(OCCO3)C3=C2)C=C1[C@@H]4O[C@H](CO)[C@H](O)[C@H]([C@@H]4O)O
LIDOCAINE
CAS:137-58-6
Formula: C14H22N2O
20081
CC1=C(NC(CN(CC)CC)=O)C(C)=CC=C1
LIDOCAINE-D10
CAS:851528-09-1
Formula: C14H12D10N2O
35066
[2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])CC(N(C1=C(C)C=CC=C1C)[H])=O
LIFITEGRAST
CAS:1025967-78-5
Formula: C29H24Cl2N2O7S
22588
CS(C1=CC=CC(C[C@@H](C(O)=O)NC(C2=C(Cl)C=C(CN(C(C3=CC(OC=C4)=C4C=C3)=O)CC5)C5=C2Cl)=O)=C1)(=O)=O
Lifitegrast (sodium salt)
CAS:1119276-80-0
Formula: C29H23Cl2N2O7S • Na
40427
CS(C1=CC=CC(C[C@@H](C([O-])=O)NC(C2=C(Cl)C=C(CN(C(C3=CC(OC=C4)=C4C=C3)=O)CC5)C5=C2Cl)=O)=C1)(=O)=O.[Na+]
LIGNOCERIC ACID
CAS:557-59-5
Formula: C24H48O2
13353
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
LIGNOCERIC ACID METHYL ESTER
CAS:2442-49-1
Formula: C25H50O2
26706
CCCCCCCCCCCCCCCCCCCCCCCC(OC)=O
LIGNOCERIC ACID-D3
CAS:851073-55-7
Formula: C24H45D3O2
28084
[2H]C([2H])([2H])CCCCCCCCCCCCCCCCCCCCCCC(O)=O
LIGNOCERIC ACID-D47
CAS:68060-00-4
Formula: C24HD47O2
9.00332e+006
[2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(
LIGNOCEROYL ETHANOLAMIDE
CAS:10015-68-6
Formula: C26H53NO2
9.00174e+006
O=C(CCCCCCCCCCCCCCCCCCCCCCC)NCCO
LIGUSTRAZINE (HYDROCHLORIDE)
CAS:76494-51-4
Formula: C8H12N2 • XHCl
29658
CC1=C(C)N=C(C)C(C)=N1.Cl
LIGUSTROFLAVONE
CAS:260413-62-5
Formula: C33H40O18
27431
OC1=CC=C(C(OC2=C3C(O)=CC(O[C@H]4[C@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4)=C2)=CC3=O)C=C1
LIH383 (trifluoroacetate salt)
Formula: C45H72N16O8S • XCF3COOH
36967
OC(C(F)(F)F)=O.O=C([C@H](CC1=CC=CC=C1)N)NCC(NCC(N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCCN)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCSC)=O)=O)=O
LIMONIN
CAS:1180-71-8
Formula: C26H30O8
16932
CC1(C)[C@]2([H])CC([C@@]3(C)[C@@]4(O5)[C@H]5C(O[C@@H](C6=COC=C6)[C@]4(C)CC[C@]3([H])[C@@]27[C@@](CC(OC7)=O)([H])O1)=O)=O
Limonin 17-ß-D-Glucopyranoside
CAS:123564-61-4
Formula: C32H42O14
39147
O=C([C@H]1O[C@@]12[C@](C)([C@@H](O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=COC=C4)CC[C@@]5([C@@]67COC(C[C@@]6(OC(C)([C@](CC([C@]52C)=O)7[H])C)[H])=O)[H])O
LIN28 1632
CAS:108825-65-6
Formula: C15H15N5O
22401
CN(C(C)=O)C1=CC=CC(C(C=C2)=NN3C2=NN=C3C)=C1
LIN28 INHIBITOR LI71
CAS:1357248-83-9
Formula: C21H21NO3
41039
CCOC1=C2N[C@@H](C3=CC=C(C=C3)C(O)=O)[C@]4([H])[C@](C=CC4)([H])C2=CC=C1
LINACLOTIDE
CAS:851199-59-2
Formula: C59H79N15O21S6
24085
N[C@H](C(N[C@]1([H])C(N[C@H](CCC(O)=O)C2=O)=O)=O)CSSC[C@]([H])(NC3=O)C(N[C@@H](CC(N)=O)C(N4[C@@](C(N[C@H](C(N[C@](CSSC1)([H])C(NC([C@H](O)C)C(NCC(N[C@H](C(N[C@@H](CC5=CC=C(O)C=C5)C(O)=O)=O)CSSC[C@]3([H])NC([C@H](CC6=CC=C(O)C=C6)N2)=O)=O)=O)=O)=O)C)=O)([H]
LINACLOTIDE-D4
Formula: C59H75D4N15O21S6
28798
N[C@H](C(N[C@]1([H])C(N[C@H](CCC(O)=O)C2=O)=O)=O)CSSC[C@]([H])(NC3=O)C(N[C@@H](CC(N)=O)C(N4[C@@](C(N[C@@](C(N[C@](CSSC1)([H])C(NC([C@H](O)C)C(NCC(N[C@H](C(N[C@@H](CC5=CC=C(O)C=C5)C(O)=O)=O)CSSC[C@]3([H])NC([C@H](CC6=CC=C(O)C=C6)N2)=O)=O)=O)=O)=O)([2H])C([
LINAGLIPTIN
CAS:668270-12-0
Formula: C25H28N8O2
23306
CC1=NC(CN2C(N(C)C(N=C(N3C[C@H](N)CCC3)N4CC#CC)=C4C2=O)=O)=NC5=CC=CC=C51
LINAMARIN
CAS:554-35-8
Formula: C10H17NO6
20532
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(C)(C#N)C
LINARIN
CAS:480-36-4
Formula: C28H32O14
26900
OC1=C(C(C=C(C2=CC=C(OC)C=C2)O3)=O)C3=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4)=C1
LINCOMYCIN
CAS:154-21-2
Formula: C18H34N2O6S
21526
C[C@@H](O)[C@](NC([C@@H]1C[C@@H](CCC)CN1C)=O)([H])[C@@]2([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
LINDERALACTONE
CAS:728-61-0
Formula: C15H16O3
35641
CC1=COC2=C1[C@@]3([H])C=C(CC/C=C(C2)\C)C(O3)=O
LINDERANE
CAS:13476-25-0
Formula: C15H16O4
27479
CC1=COC2=C1[C@@](OC3=O)([H])[C@@H](O4)C34CC/C=C(C)\C2
LINEARMYCIN A
CAS:163596-98-3
Formula: C64H101NO16
33132
NCCC[C@@H](O)C[C@@H](O)C/C=C/C(O)C/C=C/[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C/C=C/[C@H](C[C@@H](O)CC(CC(C(C(C/C=C/C=C/C=C/C=C/C=C/[C@@H](O)[C@H](C)[C@@H](O)C(C)/C=C/CC/C=C/C=C/C=C/C=C(C)/C(O)=O)O)C)=O)O)O
LINEARMYCIN B
CAS:182291-65-2
Formula: C66H103NO16
33133
NCCCC(O)CC(O)C/C=C/C(O)C/C=C/C(O)CC(O)CC(O)CC(O)C/C=C/C(CC(O)CC(CC(C(C(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C=C(C)/C(O)=O)O)C)=O)O)O
LINEZOLID
CAS:165800-03-3
Formula: C16H20FN3O4
15012
FC1=C(N2CCOCC2)C=CC(N3C(O[C@@H](CNC(C)=O)C3)=O)=C1
LINEZOLID-D3
CAS:1127120-38-0
Formula: C16H17D3FN3O4
25038
FC1=C(N2CCOCC2)C=CC(N3C(O[C@@H](CNC(C([2H])([2H])[2H])=O)C3)=O)=C1
LINOELAIDIC ACID METHYL ESTER
CAS:2566-97-4
Formula: C19H34O2
26732
O=C(OC)CCCCCCC/C=C/C/C=C/CCCCC
LINOLEIC ACID
CAS:60-33-3
Formula: C18H32O2
90150
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
LINOLEIC ACID (SODIUM SALT)
CAS:822-17-3
Formula: C18H31O2 • Na
21909
CCCCC/C=C\C/C=C\CCCCCCCC([O-])=O.[Na+]
LINOLEIC ACID AMIDE
CAS:3999-01-7
Formula: C18H33NO
21055
CCCCC/C=C\C/C=C\CCCCCCCC(N)=O
Linoleic Acid-d11 ethyl ester
Formula: C20H25D11O2
37973
[2H]C(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])([2H])/C=C\C/C=C\CCCCCCCC(OCC)=O
LINOLEOYL ETHANOLAMIDE PHOSPHATE
CAS:419566-71-5
Formula: C20H38NO5P • 2Na
9.00184e+006
O=C(CCCCCCC/C=C\C/C=C\CCCCC)NCCOP(O)(O)=O.[Na].[Na]
LINOLEOYL GLYCINE
CAS:2764-03-6
Formula: C20H35NO3
9.00033e+006
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)O
LINOLEOYL-L-CARNITINE (CHLORIDE)
CAS:173686-75-4
Formula: C25H46NO4 • Cl
26560
OC(C[C@H](C[N+](C)(C)C)OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O.[Cl-]
LINOPIRDINE
CAS:105431-72-9
Formula: C26H21N3O
19547
O=C1C(CC2=CC=NC=C2)(CC3=CC=NC=C3)C4=CC=CC=C4N1C5=CC=CC=C5
LINSITINIB
CAS:867160-71-2
Formula: C26H23N5O
17708
NC1=NC=CN2C1=C(C3=CC(N=C(C4=CC=CC=C4)C=C5)=C5C=C3)N=C2[C@H]6C[C@@](C)(O)C6
LINURON
CAS:330-55-2
Formula: C9H10Cl2N2O2
36205
O=C(N(C)OC)NC1=CC(Cl)=C(Cl)C=C1
LINZAGOLIX
CAS:935283-04-8
Formula: C22H15F3N2O7S
39654
O=C(C(SC=C1NC(N2C3=C(F)C=C(OC)C(OCC4=C(C(F)=CC=C4OC)F)=C3)=O)=C1C2=O)O
Lipid 10
CAS:2430034-02-7
Formula: C46H85N3O2
38705
CN1CCN(CCC(OCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)=O)CC1
Lipid 2-10
CAS:2055939-68-7
Formula: C58H114N2O5
40811
O=C(CCCCCCCCC(CCCCCCCCC(OC(CCCCCC)CCCCCC)=O)N(CCCN(C)C)C(CCCCCCC)=O)OC(CCCCCC)CCCCCC
Lipid C-1
CAS:2244715-87-3
Formula: C45H89NO5
39975
OCCCN(CCCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O)CCCCCC(OCCCCCCCCCCC)=O
Lipid C2
CAS:3003022-09-8
Formula: C70H142N6O6
39783
O=C(NCCN(CC(O)CCCCCCCCCCCC)CC(CCCCCCCCCCCC)O)CCN1CCN(CCC(NCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)=O)CC1
Lipid C24
CAS:2767561-52-2
Formula: C55H109N3O4
37122
O=C(CCN(CCCCN1CCN(CC1)C)CCC(OCC(CCCCCCCCCC)CCCCCCCC)=O)OCC(CCCCCCCCCC)CCCCCCCC
Lipid Catechol
CAS:2930813-52-6
Formula: C41H79N2O5P
38665
OC1=CC=C(C(P(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)=O)NCCN(CC)CC)C=C1O
Lipid M
CAS:2089251-57-8
Formula: C44H87NO5
38775
O=C(CCCCCCCN(CCCCCCCOC(C(CCCCCCCC)CCCCCCCC)=O)CCO)OCCCCCCCCC
Lipid OA2 (hydrochloride)
Formula: C47H89N3O5 • 2HCl
37987
NCCCC[C@@H](C(N[C@@H](CCC(OCCCCCCCC/C=C\CCCCCCCC)=O)C(OCCCCCCCC/C=C\CCCCCCCC)=O)=O)N.Cl.Cl
LIPOAMIDE
CAS:940-69-2
Formula: C8H15NOS2
35336
O=C(CCCCC1SSCC1)N
LIPOFERMATA
CAS:297180-15-5
Formula: C15H10BrN3OS
25869
O=C(C12SC(C3=CC=CC=C3)=NN1)NC4=C2C=C(Br)C=C4
LIPOXAMYCIN (HEMISULFATE)
CAS:11075-87-9
Formula: C19H36N2O5 • 1/2H2SO4
37747
O=S(O)(O)=O.CC(C)CCCC(CCCCCCC(CCN(O)C([C@@H](N)CO)=O)=O)=O.CC(C)CCCC(CCCCCCC(CCN(O)C([C@@H](N)CO)=O)=O)=O
LIPOXYGENIN
CAS:2247911-68-6
Formula: C24H22N2O4
26310
OC(C1=C(OC)C(C2=CC=CN=C2OC)=CN=C1OC)C3=CC=C(C=CC=C4)C4=C3
LIPROXSTATIN-1
CAS:950455-15-9
Formula: C19H21ClN4
17730
ClC1=CC(CNC(C2(CCNCC2)N3)=NC4=C3C=CC=C4)=CC=C1
LIPROXSTATIN-1 ANALOG
CAS:1170643-61-4
Formula: C16H24N4
28591
CC(C)(C)NC1=NC2=CC=CC=C2NC13CCNCC3
LIQUIRITIN
CAS:551-15-5
Formula: C21H22O9
30263
OC(C=C1)=CC2=C1C(C[C@@H](C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)O2)=O
LIRAGLUTIDE
CAS:204656-20-2
Formula: C172H265N43O51
24727
O=C(CCCCCCCCCCCCCCC)N[C@@H](CCC(NCCCC[C@@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CCCNC(N)=N)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)CC1=CNC2=C1C=CC=C2)=O)C)=O)=O)CC3
LIRIODENDRIN
CAS:573-44-4
Formula: C34H46O18
40743
COC(C=C([C@H]1OC[C@@]2([H])[C@]1([H])CO[C@@H]2C(C=C3OC)=CC(OC)=C3O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O)CO)C=C5OC)=C5O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]([C@H]6O)CO
LISINOPRIL
CAS:76547-98-3
Formula: C21H31N3O5
16833
NCCCCC(N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
LISINOPRIL-D5
CAS:1356905-39-9
Formula: C21H26D5N3O5
28520
O=C(N1[C@H](C(O)=O)CCC1)[C@H](CCCCN)N[C@H](C(O)=O)CCC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H]
LIT-927
CAS:2172879-52-4
Formula: C17H13ClN2O3
28436
OC1=C(OC)C=C(C(N2)=CC(C3=CC=C(Cl)C=C3)=NC2=O)C=C1
LITHOCHOLIC ACID
CAS:434-13-9
Formula: C24H40O3
20253
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
LITHOCHOLIC ACID 3-SULFATE (SODIUM SALT)
CAS:64936-81-8
Formula: C24H38O6S • 2Na
20676
[O-]C(CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O.[Na+].[Na+]
LITHOCHOLIC ACID-D4
CAS:83701-16-0
Formula: C24H36D4O3
20831
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C
LITHOSPERMIC ACID
CAS:28831-65-4
Formula: C27H22O12
33694
O=C(O[C@@H](C(O)=O)CC(C=C1)=CC(O)=C1O)/C=C/C(C=C2)=C3C(O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3C(O)=O)=C2O
LITHOSPERMOSIDE
CAS:63492-69-3
Formula: C14H19NO8
34771
N#C/C=C(C=C[C@H]([C@@H]1O)O)\[C@@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
LITORIN (TRIFLUOROACETATE SALT)
Formula: C51H68N14O11S • XCF3COOH
34427
O=C([C@H]1NC(CC1)=O)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](C(N[C@H](C(N)=O)CCSC)=O)CC2=CC=CC=C2)=O)CC3=CN=CN3)=O)=O)=O)=O)CC4=CNC5=CC=CC=C45)=O.OC(C(F)(F)F)=O
LIXISENATIDE (ACETATE)
CAS:1997361-87-1
Formula: C215H347N61O65S • XC2H4O2
39739
[H]N[C@H](C(NCC(N[C@@H](CCC(O)=O)C(NCC(N[C@]([C@@H](C)O)([H])C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@H]
LIXIVAPTAN
CAS:168079-32-1
Formula: C27H21ClFN3O2
21511
CC1=CC=C(F)C=C1C(NC2=CC(Cl)=C(C(N3C(C=CC=C4)=C4CN5C(C3)=CC=C5)=O)C=C2)=O
LJH685
CAS:1627710-50-2
Formula: C22H21F2N3O
19913
CN(CC1)CCN1C(C=C2)=CC=C2C3=CC=NC=C3C4=CC(F)=C(O)C(F)=C4
LJI308
CAS:1627709-94-7
Formula: C21H18F2N2O2
19924
FC1=CC(C2=CN=CC=C2C3=CC=C(N4CCOCC4)C=C3)=CC(F)=C1O
LL-37 (13-37) (human) (trifluoroacetate salt)
Formula: C137H232N42O36 • XCF3COOH
36949
OC(C(F)(F)F)=O.CC[C@H](C)[C@](C(NCC(N[C@@H](CCCCN[H])C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCCN[H])C(N[C@@H](CCCNC(N)=N)C(N[C@@](C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@](C(N[C@@H](CCCCN[H])C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N[C
LL-37 (18-37) (human) (trifluoroacetate salt)
Formula: C109H190N36O29 • XCF3COOH
36950
OC(C(F)(F)F)=O.O=C(N[C@@H](CCCNC(N)=N)C(N[C@@](C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@](C(N[C@@H](CCCCN[H])C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](C(C)C)C(N1CCC[C@H]1C(N[C@@H](C
LL-37 (human) (scrambled) (trifluoroacetate salt)
Formula: C205H340N60O53 • XCF3COOH
37503
[H]NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@]([C@H](CC)C)([H])C(N[C@@H](CCCCN)C(NCC(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@](
LL-37 (human) (trifluoroacetate salt)
Formula: C205H340N60O53 • XCF3COOH
24461
[H]N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@]([C@H](CC)C)([H])C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCCN)
LL-37 AMIDE (TRIFLUOROACETATE SALT)
Formula: C205H341N61O52 • XCF3COOH
24764
NC([C@H](CO)NC([C@H](CCC(O)=O)NC([C@@]([C@@H](C)O)([H])NC([C@H](CCCNC(N)=N)NC([C@@H]1CCCN1C([C@H](C(C)C)NC([C@H](CC(C)C)NC([C@H](CC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@@H](NC([C@@H](NC([C@H](CCCCN)NC([C@@]([C@H](CC)C)([H])NC([C@H](CCCNC(N)=N)NC
LL-Z 1640-4
CAS:66018-41-5
Formula: C19H24O7
19159
OC1C(O)C(O)C/C=C/C2=CC(OC)=CC(O)=C2C(OC(C)C/C=C\1)=O
LLP-3
CAS:1453835-43-2
Formula: C32H23ClN2O4
19088
O=C1NC(C2=C(O)C=CC(Cl)=C2)=CC(C3=CC(OCC4=CC=CC=C4)=CC(OCC5=CC=CC=C5)=C3)=C1C#N
LLY-283
CAS:2040291-27-6
Formula: C17H18N4O4
21596
O[C@H](C1=CC=CC=C1)[C@@]2([H])O[C@@H](N3C=CC4=C3N=CN=C4N)[C@H](O)[C@@H]2O
LLY-507
CAS:1793053-37-8
Formula: C36H42N6O
16441
N#CC1=CC(C(NCCCN2CCCC2)=O)=CC(C3=CC=CC=C3N4CCN(CCN5C=C(C)C6=C5C=CC=C6)CC4)=C1
LM-10
CAS:1316695-35-8
Formula: C11H8FN5
36291
FC1=CC=C2C(/C=C/C3=NN=NN3)=CNC2=C1
LM11A-31 (HYDROCHLORIDE)
CAS:1243259-19-9
Formula: C12H25N3O2 • 2HCl
21982
O=C([C@@H](N)[C@@H](C)CC)NCCN1CCOCC1.Cl.Cl
LM22A-4
CAS:37988-18-4
Formula: C15H21N3O6
22082
O=C(NCCO)C1=CC(C(NCCO)=O)=CC(C(NCCO)=O)=C1
LM22B-10
CAS:342777-54-2
Formula: C27H33ClN2O4
29037
OCCN(CCO)C1=CC=C(C(C2=CC=C(Cl)C=C2)C3=CC=C(N(CCO)CCO)C=C3)C=C1
LMB763
CAS:1773489-72-7
Formula: C27H22ClN3O4
30184
ClC1=CC=C(OCC2=C3N(C)N=C2C(N(CC4=CC=CC=C4)CC5=CC=C(C(O)=O)C=C5)=O)C3=C1
LMI070
CAS:1562338-42-4
Formula: C22H27N5O2
26757
CC(NC(C)(C)C1)(C)CC1OC2=CC=C(C3=C(O)C=C(C4=CNN=C4)C=C3)N=N2
LMK 235
CAS:1418033-25-6
Formula: C15H22N2O4
14969
CC1=CC(C)=CC(C(NOCCCCCC(NO)=O)=O)=C1
LMT-28
CAS:1239600-18-0
Formula: C17H29NO4
40837
O=C([C@H]([C@@H](C(CCCCC)=C)O)C)N1[C@@H](C(C)C)COC1=O
LMW-PTP INHIBITOR I (HYDROCHLORIDE)
CAS:2310135-46-5
Formula: C28H36N4O • 2HCl
22277
O=C(N(CC)CC)C(C=C1)=CC=C1C2=CC(NCCCN3CCCCC3)=C(C=CC=C4)C4=N2.Cl.Cl
LN6023 (hydrochloride)
Formula: C20H32N6O2S • 2HCl
40287
O=C1C=C(CC)N=C2N1N=C(NCCCN3CCC(C(NC(C)(C)C)=O)CC3)S2.Cl.Cl
LNP023 (hydrochloride)
CAS:1646321-63-2
Formula: C25H30N2O4 • HCl
37291
CC(C=C1OC)=C(NC=C2)C2=C1CN3[C@@](C4=CC=C(C=C4)C(O)=O)([H])C[C@H](CC3)OCC.Cl
LNT 1
CAS:824983-91-7
Formula: C15H12N2O5S
35803
O=C1C2=C(N(CC3OC4=C(OC3)C=CC=C4)C(N1O)=O)C=CS2
LOBARIC ACID
CAS:522-53-2
Formula: C25H28O8
25205
OC(C(C(O)=O)=C1CCCCC)=CC2=C1OC(C=C(OC)C=C3C(CCCC)=O)=C3C(O2)=O
LOC14
CAS:877963-94-5
Formula: C16H19N3O2S
17766
O=C(C1CC1)N(CC2)CCN2CN3C(C(C=CC=C4)=C4S3)=O
LOC1886
CAS:951948-38-2
Formula: C13H11N3O2
38026
O=C(N1C=CN=C1)C2=CC3=C(OC)C=CC=C3N2