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Cayman Chemical Company
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1180 E.Ellsworth Rd.
Ann Arbor, MI 48108
800-364-9897
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5,7-DIHYDROXY-4-METHYLCOUMARIN
CAS:2107-76-8
Formula: C10H8O4
33756
O=C1OC2=C(C(C)=C1)C(O)=CC(O)=C2
5,7-DIHYDROXYCHROMONE
CAS:31721-94-5
Formula: C9H6O4
29006
OC1=C(C(C=CO2)=O)C2=CC(O)=C1
5,7-DIMETHOXYFLAVONE
CAS:21392-57-4
Formula: C17H14O4
37361
O=C1C=C(C2=CC=CC=C2)OC3=CC(OC)=CC(OC)=C13
5,8,11,14-EICOSATETRAYNOIC ACID
CAS:1191-85-1
Formula: C20H24O2
90120
CCCCCCCCCCCCCCCCCCCC(=O)O
5,8,11-EICOSATRIYNOIC ACID
CAS:13488-22-7
Formula: C20H28O2
90200
CCCCCCCCCCCCCCCCCCCC(=O)O
5-(2-AMINOPYRIDYL)AMIDE OXIME
CAS:468068-28-2
Formula: C6H8N4O
13384
O/N=C(\N)/c1ccc(N)nc1
5-(3',4'-Dihydroxyphenyl)-?-Valerolactone
CAS:21618-92-8
Formula: C11H12O4
36690
OC(C(O)=C1)=CC=C1CC2CCC(O2)=O
5-(3'-Hydroxyphenyl)-?-Valerolactone
CAS:21618-91-7
Formula: C11H12O3
38519
OC1=CC=CC(CC2CCC(O2)=O)=C1
5-(3-Aminoallyl)-2'-deoxyuridine-5'-O-triphosphate (sodium salt)
CAS:85280-65-5
Formula: C12H16N3O14P3 • 4Na
38361
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(NC(C(/C=C/CN)=C2)=O)=O)C1.[Na+].[Na+].[Na+].[Na+]
5-(3-Aminoallyl)uridine-5'-O-triphosphate (sodium salt)
CAS:85280-66-6
Formula: C12H16N3O15P3 • 4Na
38423
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(NC(C(/C=C/CN)=C2)=O)=O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
5-(4'-(Azidomethyl)(1,1'-biphenyl)-2-yl)-2H-tetrazole
CAS:152708-24-2
Formula: C14H11N7
38780
[N-]=[N+]=NCC1=CC=C(C2=C(C3=NN=NN3)C=CC=C2)C=C1
5-(4,6-DICHLORO-S-TRIAZIN-2-YLAMINO)FLUORESCEIN (HYDROCHLORIDE)
CAS:21811-74-5
Formula: C23H12Cl2N4O5 • HCl
34080
OC1=CC=C2C3(C4=CC=C(NC5=NC(Cl)=NC(Cl)=N5)C=C4C(O3)=O)C6=CC=C(O)C=C6OC2=C1.Cl
5-(DIPHENYLPHOSPHORYL)PENTANOIC ACID
CAS:71140-70-0
Formula: C17H19O3P
1.00113e+007
OC(=O)CCCCP(=O)(c1ccccc1)c1ccccc1
5-(HYDROXYMETHYL)-2’-DEOXYCYTIDINE
CAS:7226-77-9
Formula: C10H15N3O5
18162
O=C1N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C(CO)C(N)=N1
5-(HYDROXYMETHYL)-2’-DEOXYURIDINE
CAS:5116-24-5
Formula: C10H14N2O6
23381
O=C(NC(C(CO)=C1)=O)N1[C@H]2C[C@H](O)[C@@H](CO)O2
5-(HYDROXYMETHYL)FURFURYL ALCOHOL
CAS:1883-75-6
Formula: C6H8O3
20658
OCC1=CC=C(CO)O1
5-(N,N-DIMETHYL)-AMILORIDE (HYDROCHLORIDE)
CAS:2235-97-4
Formula: C8H12ClN7O • HCl
19100
CN(C)C1=NC(N)=C(C(NC(N)=N)=O)N=C1Cl.Cl
5-(N-ETHYL-N-ISOPROPYL)-AMILORIDE
CAS:1154-25-2
Formula: C11H18ClN7O
14406
ClC1=C(N(CC)C(C)C)N=C(N)C(C(NC(N)=N)=O)=N1
5-Acetamide-Butenolide
CAS:16275-44-8
Formula: C6H7NO3
40867
CC(NC1C=CC(O1)=O)=O
5-acetoxy DMT (fumarate)
Formula: C14H18N2O2 • C4H4O4
25575
CN(C)CCC1=CNC2=CC=C(OC(C)=O)C=C21.O=C(/C=C/C(O)=O)O
5-AEDB (HYDROCHLORIDE)
CAS:796869-33-5
Formula: C10H13NO • HCl
18351
NCCC1=CC(CCO2)=C2C=C1.Cl
5-AMINO-6-(D-RIBITYLAMINO)URACIL (HYDROCHLORIDE)
CAS:134452-11-2
Formula: C9H16N4O6 • HCl
39898
O=C(C(N)=C(NC[C@H](O)[C@H](O)[C@H](O)CO)N1)NC1=O
5-AMINOFLUORESCEIN
CAS:3326-34-9
Formula: C20H13NO5
36270
O=C1OC2(C3=CC=C(C=C13)N)C4=CC=C(C=C4OC5=CC(O)=CC=C52)O
5-Aminoimidazole-4-carboxamide (hydrate)
Formula: C4H6N4O • XH2O
36927
NC1=C(C(N)=O)NC=N1
5-AMINOLEVULINIC ACID (HYDROCHLORIDE)
CAS:5451-09-2
Formula: C5H9NO3 • HCl
9.0019e+006
NCC(CCC(O)=O)=O.Cl
5-AMINOSALICYLIC ACID
CAS:89-57-6
Formula: C7H7NO3
70265
Nc1ccc(O)c(c1)C(=O)O
5-Aminosalicylic Acid-d7
Formula: C7D7NO3
37197
[2H]C1=C(C(O[2H])=O)C(O[2H])=C([2H])C([2H])=C1N([2H])[2H]
5-Aminothalidomide
CAS:191732-76-0
Formula: C13H11N3O4
39514
O=C1C2=CC=C(C=C2C(N1C3C(NC(CC3)=O)=O)=O)N
5-ANDROSTENEDIOL
CAS:521-17-5
Formula: C19H30O2
34159
C[C@@]12[C@]3([H])[C@](CC=C1C[C@H](CC2)O)([H])[C@@]4([H])[C@](CC3)([C@H](CC4)O)C
5-ANDROSTENETRIOL
CAS:4150-30-5
Formula: C19H30O3
35273
C[C@@]12[C@]3([H])[C@](CC=C1C[C@H](CC2)O)([H])[C@@]4([H])[C@](CC3)([C@H]([C@@H](C4)O)O)C
5-APB (HYDROCHLORIDE)
CAS:286834-80-8
Formula: C11H13NO • HCl
11134
NC(C)CC1=CC(C=CO2)=C2C=C1.Cl
5-APDB (HYDROCHLORIDE)
CAS:152623-94-4
Formula: C11H15NO • HCl
11456
NC(C)CC1=CC(CCO2)=C2C=C1.Cl
5-APDI (HYDROCHLORIDE)
CAS:152623-95-5
Formula: C12H17N • HCl
13899
NC(C)CC1=CC(CCC2)=C2C=C1.Cl
5-AZACYTIDINE
CAS:320-67-2
Formula: C8H12N4O5
11164
O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@@]1([H])N2C=NC(N)=NC2=O
5-AZIDOPENTANOIC ACID
CAS:79583-98-5
Formula: C5H9N3O2
16517
OC(CCCCN=[N+]=[N-])=O
5-BROMO AMB-PICA
Formula: C20H27BrN2O3
29752
O=C(N[C@@H](C(C)C)C(OC)=O)C1=CN(CCCCCBr)C2=C1C=CC=C2
5-BROMO APINACA
CAS:2160555-51-9
Formula: C23H30BrN3O
25209
BrCCCCCN1N=C(C(NC23C[C@H]4C[C@H](C[C@@H](C3)C4)C2)=O)C5=CC=CC=C51
5-BROMO-2'-DEOXYCYTIDINE
CAS:1022-79-3
Formula: C9H12BrN3O4
40644
O[C@@H]1[C@@H](CO)O[C@@H](N2C(N=C(N)C(Br)=C2)=O)C1
5-BROMO-2'-DEOXYURIDINE
CAS:59-14-3
Formula: C9H11BrN2O5
15580
OC[C@@H]1[C@@H](O)C[C@H](N2C=C(Br)C(NC2=O)=O)O1
5-BROMO-2-CHLORO-4-METHOXYPYRIMIDINE
CAS:57054-92-9
Formula: C5H4BrClN2O
21862
ClC1=NC(OC)=C(Br)C=N1
5-bromo-3-indolyl-ß-D-Galactopyranoside
CAS:97753-82-7
Formula: C14H16BrNO6
35299
BrC1=CC=C2C(C(O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)=CN2)=C1
5-BROMO-3-PHENYL SALICYLIC ACID
CAS:99514-99-5
Formula: C13H9BrO3
13379
BrC1=CC(C2=CC=CC=C2)=C(O)C(C(O)=O)=C1
5-bromo-4-chloro-3-indolyl-ß-D-Glucuronide (cyclohexylammonium salt hydrate)
Formula: C14H13BrClNO7 • C6H13N [H2O]
33591
NC1CCCCC1.BrC2=CC=C3C(C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O)=CN3)=C2Cl.O
5-BROMO-N,N-DMT
CAS:17274-65-6
Formula: C12H15BrN2
31043
BrC1=CC=C(NC=C2CCN(C)C)C2=C1
5-BROMOISOQUINOLINE
CAS:34784-04-8
Formula: C9H6BrN
1.00071e+007
Brc1cccc2cnccc12
5-Bromopentanoic Acid-d4
CAS:42932-62-7
Formula: C5H5BrD4O2
30913
BrCC([2H])([2H])C([2H])([2H])CC(O)=O
5-BROMOTETRALONE
CAS:68449-30-9
Formula: C10H9BrO
1.00071e+007
O=C1CCCc2c(Br)cccc12
5-BROMOURIDINE
CAS:957-75-5
Formula: C9H11BrN2O6
30457
O=C1N([C@]2([H])O[C@H](CO)[C@@H](O)[C@H]2O)C=C(Br)C(N1)=O
5-BROMOURIDINE 5'-TRIPHOSPHATE (SODIUM SALT)
Formula: C9H11BrN2O15P3 • 3Na
18140
O[C@@H]1[C@H](O)[C@@H](COP(OP(OP(O)([O-])=O)([O-])=O)([O-])=O)O[C@H]1N2C=C(Br)C(NC2=O)=O.[Na+].[Na+].[Na+]
5-CARBOXYFLUORESCEIN
CAS:76823-03-5
Formula: C21H12O7
19581
OC1=CC=C(C2(C(C=CC(C(O)=O)=C3)=C3C(O2)=O)C(C=CC(O)=C4)=C4O5)C5=C1
5-CARBOXYTETRAMETHYLRHODAMINE
CAS:91809-66-4
Formula: C25H22N2O5
34598
O=C(C1=C(C2=C3C=CC(N(C)C)=CC3=[O+]C4=C2C=CC(N(C)C)=C4)C=CC(C(O)=O)=C1)[O-]
5-CARBOXYTETRAMETHYLRHODAMINE SUCCINIMIDYL ESTER
CAS:150810-68-7
Formula: C29H25N3O7
28509
[O-]C(C(C=C(C(ON1C(CCC1=O)=O)=O)C=C2)=C2C3=C4C=CC(N(C)C)=CC4=[O+]C5=C3C=CC(N(C)C)=C5)=O
5-CHLORO AB-PINACA
CAS:1801552-02-2
Formula: C18H25ClN4O2
9.00186e+006
O=C(N[C@H](C(N)=O)C(C)C)C1=NN(CCCCCCl)C2=C1C=CC=C2
5-CHLORO AMB-PICA
Formula: C20H27ClN2O3
29751
O=C(N[C@@H](C(C)C)C(OC)=O)C1=CN(CCCCCCl)C2=C1C=CC=C2
5-chloro AMT
CAS:712-07-2
Formula: C11H13ClN2
35183
ClC1=CC=C2NC=C(CC(N)C)C2=C1
5-CHLORO DMT (HYDROCHLORIDE)
CAS:1016-45-1
Formula: C12H15ClN2 • HCl
31044
ClC1=CC=C(NC=C2CCN(C)C)C2=C1.Cl
5-CHLORO HYDROCHLOROTHIAZIDE
CAS:5233-42-1
Formula: C7H7Cl2N3O4S2
17571
O=S1(C2=CC(S(N)(=O)=O)=C(Cl)C(Cl)=C2NCN1)=O
5-CHLORO MDMB-PICA
Formula: C21H29ClN2O3
23438
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCCCCCl)C2=C1C=CC=C2
5-CHLORO NNEI
CAS:1800101-23-8
Formula: C24H23ClN2O
16003
O=C(C1=CN(CCCCCCl)C2=C1C=CC=C2)NC3=C(C=CC=C4)C4=CC=C3
5-CHLORO TRYPTAMINE (HYDROCHLORIDE)
CAS:942-26-7
Formula: C10H11ClN2 • HCl
32707
NCCC1=CNC2=C1C=C(Cl)C=C2.Cl
5-CHLORO-2'-DEOXYURIDINE
CAS:50-90-8
Formula: C9H11ClN2O5
18155
ClC1=CN(C(NC1=O)=O)[C@H]2C[C@H](O)[C@@H](CO)O2
5-CHLORO-2-THIOTHINONE (HYDROCHLORIDE)
CAS:2903386-66-1
Formula: C8H10ClNOS • HCl
32544
CC(NC)C(C1=CC=C(Cl)S1)=O.Cl
5-CHLORORESORCINOL DIMETHYL ETHER
CAS:7051-16-3
Formula: C8H9ClO2
1.00071e+007
COc1cc(OC)cc(Cl)c1
5-CIS CARBAPROSTACYCLIN
CAS:69609-77-4
Formula: C21H34O4
18211
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(C2)=C\CCCC(O)=O
5-CYANO-2,3-DI-(P-TOLYL)TETRAZOLIUM (CHLORIDE)
CAS:90217-02-0
Formula: C16H14N5 • Cl
15926
CC(C=C1)=CC=C1N2N=C(C#N)N=[N+]2C3=CC=C(C)C=C3.[Cl-]
5-DEOXY-D-RIBOSE
CAS:13039-75-3
Formula: C5H10O4
30103
O=C[C@H](O)[C@H](O)[C@H](O)C
5-EAPB (HYDROCHLORIDE)
CAS:1823776-22-2
Formula: C13H17NO • HCl
15282
CC(NCC)CC1=CC(C=CO2)=C2C=C1.Cl
5-ETHYNYL-2'-DEOXYURIDINE
CAS:61135-33-9
Formula: C11H12N2O5
20518
O=C(NC(C(C#C)=C1)=O)N1[C@H]2C[C@H](O)[C@@H](CO)O2
5-ETHYNYLURIDINE
CAS:69075-42-9
Formula: C11H12N2O6
34391
O[C@H]1[C@@](N2C=C(C(NC2=O)=O)C#C)([H])O[C@@H]([C@H]1O)CO
5-FAM-Amyloid-ß (1-28) Peptide (human) (trifluoroacetate salt)
Formula: C166H219N41O52 • XCF3COOH
27108
[H]N(C(C1=CC(C(O)=O)=C(C2=C(C=C3)C(OC4=C2C=CC(O)=C4)=CC3=O)C=C1)=O)[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@H](C(N[C@@H](CC5=CC=CC=C5)C(N[C@H](C(N[C@@H](CC6=CN=CN6)C(N[C@@H](CC(O)=O)C(N[C@H](C(NCC(N[C@@H](CC7=CC=C(C=C7)O)C(N[C@H](C(N[C@H](C(N[C@@H](CC8=CN=CN8)C(N
5-FAM-Amyloid-ß (1-42) Peptide (human) (trifluoroacetate salt)
Formula: C224H321N55O66S • XCF3COOH
27408
O=C(N([H])[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H
5-FAM-LL-37 (human) (trifluoroacetate salt)
Formula: C232H361N61O60 • XCF3COOH
37524
CC(C)C[C@@H](C(N[C@H](C(NCC(N[C@@H](CC(O)=O)C(N[C@@H](CC1=CC=CC=C1)C(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[C@H](C(N[C@H](C(N[C@]([H])(C(NCC(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@H](C(N[C@]([H])(C(N[C@H](C(N[C@H](C(N[
5-FAM-LPETGG (trifluoroacetate salt)
Formula: C45H50N6O16 • XCF3COOH
36997
OC(C(F)(F)F)=O.O=C1OC2(C3=C(OC4=C2C=CC(O)=C4)C=C(O)C=C3)C5=C1C=C(C(N[C@H](C(N6CCC[C@H]6C(N[C@@H](CCC(O)=O)C(N[C@]([C@H](O)C)([H])C(NCC(NCC(O)=O)=O)=O)=O)=O)=O)CC(C)C)=O)C=C5
5-FERULOYLQUINIC ACID
CAS:40242-06-6
Formula: C17H20O9
34349
COC(C=C1C=CC(O[C@@H]2C[C@](O)(C[C@H]([C@@H]2O)O)C(O)=O)=O)=C(C=C1)O
5-FLUORO 203
CAS:260443-89-8
Formula: C14H11FN2S
17677
FC1=CC=C(SC(C2=CC=C(N)C(C)=C2)=N3)C3=C1
5-FLUORO 7-APAICA
CAS:2682867-58-7
Formula: C23H30FN3O
23021
O=C(C1=CN(CCCCCF)C2=C1C=CC=N2)NC34C[C@H](C[C@H](C4)C5)C[C@H]5C3
5-FLUORO 7-QUPAIC
CAS:2748300-92-5
Formula: C22H20FN3O2
23011
FCCCCCN1C=C(C(OC2=C(N=CC=C3)C3=CC=C2)=O)C4=C1N=CC=C4
5-FLUORO AB-7-PAICA
CAS:2682867-57-6
Formula: C18H25FN4O2
26646
O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CCCCCF)C2=C1C=CC=N2
5-FLUORO AB-PINACA 3-CARBOXYINDAZOLE METABOLITE
CAS:1535166-43-8
Formula: C13H15FN2O2
27733
O=C(O)C1=NN(CCCCCF)C2=C1C=CC=C2
5-FLUORO ABICA
CAS:1801338-26-0
Formula: C19H26FN3O2
9.00156e+006
O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO ADB 2'-INDAZOLE ISOMER BUTANOIC ACID METABOLITE
CAS:2711867-70-6
Formula: C19H26FN3O3
28963
O=C(N[C@@H](C(C)(C)C)C(O)=O)C1=C2C(C=CC=C2)=NN1CCCCCF
5-fluoro ADB-5'Br-PINACA
Formula: C19H26BrFN4O2
37963
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCCCF)C2=C1C=C(Br)C=C2
5-FLUORO ADB-P7AICA
Formula: C19H27FN4O2
34353
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=N2
5-FLUORO ADBICA
CAS:1863065-82-0
Formula: C20H28FN3O2
14766
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO AMB
CAS:1801552-03-3
Formula: C19H26FN3O3
15489
O=C(N[C@H](C(OC)=O)C(C)C)C1=NN(CCCCCF)C2=C1C=CC=C2
5-FLUORO AMB METABOLITE 3
CAS:1890250-21-1
Formula: C19H25N3O5
17893
O=C(N[C@H](C(OC)=O)C(C)C)C1=NN(CCCCC(O)=O)C2=C1C=CC=C2
5-FLUORO AMT (HYDROCHLORIDE)
CAS:776-56-7
Formula: C11H13FN2 • HCl
32728
FC1=CC2=C(NC=C2CC(N)C)C=C1.Cl
5-FLUORO APINAC
CAS:2365471-88-9
Formula: C23H29FN2O2
18592
O=C(OC12C[C@H](C[C@H](C2)C3)C[C@H]3C1)C4=NN(CCCCCF)C5=C4C=CC=C5
5-FLUORO BEPIRAPIM (HYDROCHLORIDE)
CAS:2365471-74-3
Formula: C25H30FN3O • HCl
19730
O=C(N1CCN(CC2=CC=CC=C2)CC1)C3=CN(CCCCCF)C4=CC=CC=C43.Cl
5-FLUORO BZO-POXIZID
Formula: C20H20FN3O2
34586
O=C(N/N=C1C(N(CCCCCF)C2=C\1C=CC=C2)=O)C3=CC=CC=C3
5-FLUORO CUMYL-P7AICA N-PENTANOIC ACID METABOLITE
CAS:2829713-13-3
Formula: C22H25N3O3
31749
O=C(NC(C)(C)C1=CC=CC=C1)C2=CN(CCCCC(O)=O)C3=C2C=CC=N3
5-FLUORO CUMYL-PEGACLONE
CAS:2377403-49-9
Formula: C25H27FN2O
25435
CC(C1=CC=CC=C1)(C)N2C=CC(N(CCCCCF)C3=C4C=CC=C3)=C4C2=O
5-FLUORO CUMYL-PEGACLONE N-(5-HYDROXYPENTYL) METABOLITE
CAS:2399452-31-2
Formula: C25H28N2O2
31283
CC(C1=CC=CC=C1)(C)N2C=CC(N(CCCCCO)C3=C4C=CC=C3)=C4C2=O
5-FLUORO CUMYL-PEGACLONE N-PENTANOIC ACID METABOLITE
CAS:2835243-96-2
Formula: C25H26N2O3
31284
CC(C1=CC=CC=C1)(C)N2C=CC(N(CCCCC(O)=O)C3=C4C=CC=C3)=C4C2=O
5-FLUORO CUMYL-PICA
CAS:1400742-18-8
Formula: C23H27FN2O
17212
O=C(NC(C)(C)C1=CC=CC=C1)C2=CN(CCCCCF)C3=C2C=CC=C3
5-fluoro CUMYL-PINACA N-pentanoic acid metabolite
Formula: C22H25N3O3
31286
O=C(NC(C)(C)C1=CC=CC=C1)C2=NN(CCCCC(O)=O)C3=C2C=CC=C3
5-FLUORO EDMB-PICA
CAS:2666934-54-7
Formula: C22H31FN2O3
30725
O=C(N[C@H](C(OCC)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO EDMB-PINACA
CAS:2504100-69-8
Formula: C21H30FN3O3
23005
O=C(N[C@H](C(OCC)=O)C(C)(C)C)C1=NN(CCCCCF)C2=C1C=CC=C2
5-FLUORO EMB-PICA
CAS:2648861-83-8
Formula: C21H29FN2O3
30769
O=C(N[C@H](C(OCC)=O)C(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO EMB-PICA N-(5-HYDROXYPENTYL) METABOLITE
Formula: C21H30N2O4
31540
O=C(N[C@H](C(OCC)=O)C(C)C)C1=CN(CCCCCO)C2=C1C=CC=C2
5-FLUORO ETHYLBENZYL-PICA
CAS:2749433-43-8
Formula: C23H27FN2O
24430
O=C(NC(CC)C1=CC=CC=C1)C2=CN(CCCCCF)C3=C2C=CC=C3
5-FLUORO MDMB-7-PAICA
CAS:2377403-81-9
Formula: C20H28FN3O3
25286
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=N2
5-FLUORO MDMB-7-PAICA BUTANOIC ACID METABOLITE
CAS:2712863-53-9
Formula: C19H26FN3O3
28693
O=C(N[C@H](C(O)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=N2
5-FLUORO MDMB-PICA
CAS:1971007-88-1
Formula: C21H29FN2O3
20803
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO MDMB-PICA METABOLITE 4
CAS:2593197-18-1
Formula: C20H27FN2O4
22395
O=C(N[C@H](C(O)=O)C(C)(C)C)C1=CN(CCCC(O)CF)C2=C1C=CC=C2
5-FLUORO MDMB-PICA METABOLITE 7
CAS:2569223-22-7
Formula: C20H27FN2O3
22095
O=C(N[C@H](C(O)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO MDMB-PICA METABOLITE 7-D5
Formula: C20H22D5FN2O3
27488
O=C(N[C@H](C(O)=O)C(C)(C)C)C1=C([2H])N(CCCCCF)C2=C1C([2H])=C([2H])C([2H])=C2[2H]
5-FLUORO MDMB-PICA METABOLITE 8
Formula: C19H24N2O5
27586
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCC(O)=O)C2=C1C=CC=C2
5-FLUORO MDMB-PICA METABOLITE 9
Formula: C21H29FN2O4
27587
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC(O)=C2
5-FLUORO MDMB-PICA-D5
Formula: C21H24D5FN2O3
27487
O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=C([2H])N(CCCCCF)C2=C1C([2H])=C([2H])C([2H])=C2[2H]
5-FLUORO MMB-P7AICA
CAS:2755646-64-9
Formula: C19H26FN3O3
31189
O=C(N[C@H](C(OC)=O)C(C)C)C1=CN(CCCCCF)C2=C1C=CC=N2
5-FLUORO MMB-PICA BUTANOIC ACID METABOLITE
CAS:2693397-43-0
Formula: C19H25FN2O3
31267
O=C(N[C@@H](C(C)C)C(O)=O)C1=CN(CCCCCF)C2=C1C=CC=C2
5-FLUORO MN-18
CAS:1445581-91-8
Formula: C23H22FN3O
14816
O=C(NC1=C(C=CC=C2)C2=CC=C1)C3=NN(CCCCCF)C4=C3C=CC=C4
5-FLUORO MPP-PICA
CAS:2682867-54-3
Formula: C24H27FN2O3
25916
O=C(N[C@H](C(OC)=O)CC1=CC=CC=C1)C2=CN(CCCCCF)C3=C2C=CC=C3
5-fluoro MPP-PICA phenylpropionic acid metabolite
Formula: C23H25FN2O3
31271
O=C(N[C@H](C(O)=O)CC1=CC=CC=C1)C2=CN(CCCCCF)C3=C2C=CC=C3
5-FLUORO NNEI
CAS:1445580-60-8
Formula: C24H23FN2O
14147
O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)NC3=C(C=CC=C4)C4=CC=C3
5-FLUORO NNEI 2'-NAPHTHYL ISOMER
CAS:1797883-78-3
Formula: C24H23FN2O
14318
FCCCCCN1C=C(C(NC2=CC(C=CC=C3)=C3C=C2)=O)C4=C1C=CC=C4
5-FLUORO NPB-22
CAS:1445579-79-2
Formula: C22H20FN3O2
15536
O=C(OC1=C(N=CC=C2)C2=CC=C1)C3=NN(CCCCCF)C4=C3C=CC=C4
5-FLUORO OROTIC ACID (HYDRATE)
CAS:220141-70-8
Formula: C5H3FN2O4 • H2O
17318
O=C1NC(C(O)=O)=C(F)C(N1)=O.O
5-FLUORO PB-22 3-HYDROXYQUINOLINE ISOMER
CAS:2365471-26-5
Formula: C23H21FN2O2
14511
O=C(OC1=CC2=C(C=CC=C2)N=C1)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PB-22 4-HYDROXYQUINOLINE ISOMER
CAS:1797132-65-0
Formula: C23H21FN2O2
14512
O=C(OC1=CC=NC2=C1C=CC=C2)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PB-22 5-HYDROXYISOQUINOLINE ISOMER
CAS:2365471-16-3
Formula: C23H21FN2O2
14550
O=C(OC1=C(C=CN=C2)C2=CC=C1)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PB-22 5-HYDROXYQUINOLINE ISOMER
CAS:2365471-33-4
Formula: C23H21FN2O2
14513
O=C(OC1=CC=CC2=C1C=CC=N2)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PB-22 6-HYDROXYQUINOLINE ISOMER
CAS:2365471-03-8
Formula: C23H21FN2O2
14514
O=C(OC1=CC2=C(N=CC=C2)C=C1)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PB-22 7-HYDROXYISOQUINOLINE ISOMER
CAS:2365471-81-2
Formula: C23H21FN2O2
14552
O=C(OC1=CC=C(C=CN=C2)C2=C1)C3=CN(CCCCCF)C4=C3C=CC=C4
5-FLUORO PHENYL-PICA
CAS:1776086-01-1
Formula: C20H21FN2O
23924
FCCCCCN1C=C(C(NC2=CC=CC=C2)=O)C3=CC=CC=C31
5-FLUORO SDB-005
CAS:2185863-14-1
Formula: C23H21FN2O2
15353
O=C(OC1=C(C=CC=C2)C2=CC=C1)C3=NN(CCCCCF)C4=CC=CC=C43
5-FLUORO SDB-006
CAS:1776086-02-2
Formula: C21H23FN2O
15390
O=C(NCC1=CC=CC=C1)C2=CN(CCCCCF)C3=C2C=CC=C3
5-FLUORO THJ
CAS:2180934-72-7
Formula: C22H21FN4O
14890
O=C(NC1=C(N=CC=C2)C2=CC=C1)C3=NN(CCCCCF)C4=C3C=CC=C4
5-FLUORO-2-ADB-PINACA ISOMER 2
Formula: C19H27FN4O2
17169
O=C(N[C@@H]([C@H](CC)C)C(N)=O)C1=C2C(C=CC=C2)=NN1CCCCCF
5-FLUORO-3,5-ADB-PFUPPYCA
CAS:1969261-68-4
Formula: C21H28F2N4O2
18530
FC(C=C1)=CC=C1C2=NN(CCCCCF)C(C(NC(C(C)(C)C)C(N)=O)=O)=C2
5-FLUORO-TERT-BUTYLBENZYL-PINACA
CAS:2749299-04-3
Formula: C24H30FN3O
23351
O=C(NC(C1=CC=CC=C1)C(C)(C)C)C2=NN(CCCCCF)C3=C2C=CC=C3
5-FLUOROCYTOSINE
CAS:2022-85-7
Formula: C4H4FN3O
11635
FC1=CNC(N=C1N)=O
5-FLUOROPENTYL-3-PYRIDINOYLINDOLE (HYDROCHLORIDE)
CAS:2365471-19-6
Formula: C19H19FN2O • HCl
14295
O=C(C1=CC=CN=C1)C2=CN(CCCCCF)C3=C2C=CC=C3.Cl
5-FORMYL-2'-DEOXYURIDINE
CAS:4494-26-2
Formula: C10H12N2O6
40306
O=C1N(C=C(C(N1)=O)C=O)[C@@H]2O[C@@H]([C@H](C2)O)CO
5-FORMYL-5,6,7,8-TETRAHYDROPTEROIC ACID (HYDROCHLORIDE)
CAS:2469007-14-3
Formula: C15H16N6O4 • HCl
35717
O=CN1C2=C(N([H])CC1CN([H])C3=CC=C(C(O)=O)C=C3)N([H])C(N)=NC2=O.Cl
5-FORMYLURACIL
CAS:1195-08-0
Formula: C5H4N2O3
36523
O=CC1=CNC(NC1=O)=O
5-HENEICOSYLRESORCINOL
CAS:70110-59-7
Formula: C27H48O2
30031
OC1=CC(O)=CC(CCCCCCCCCCCCCCCCCCCCC)=C1
5-HEPTYLRESORCINOL
CAS:500-67-4
Formula: C13H20O2
38858
OC1=CC(CCCCCCC)=CC(O)=C1
5-HYDROXY DICLOFENAC
CAS:69002-84-2
Formula: C14H11Cl2NO3
23369
ClC1=C(NC2=C(CC(O)=O)C=C(O)C=C2)C(Cl)=CC=C1
5-HYDROXY FLUNIXIN
CAS:75369-61-8
Formula: C14H11F3N2O3
33930
O=C(C1=C(NC2=CC=CC(C(F)(F)F)=C2C)N=CC(O)=C1)O
5-HYDROXY INDOLE-3-ACETIC ACID
CAS:54-16-0
Formula: C10H9NO3
22889
OC(CC1=CNC2=CC=C(O)C=C21)=O
5-hydroxy Indole-3-acetic Acid-d6
CAS:2748469-82-9
Formula: C10H3D6NO3
37199
OC(C([2H])([2H])C(C1=C2[2H])=C([2H])NC1=C([2H])C([2H])=C2O)=O
5-HYDROXY INDOMETHACIN
CAS:2504-32-7
Formula: C18H14ClNO4
34578
O=C(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=CC=C(O)C=C13)O
5-HYDROXY ISATIN
CAS:116569-09-6
Formula: C8H5NO3
36383
O=C1NC2=CC=C(C=C2C1=O)O
5-HYDROXY NMT (OXALATE)
CAS:1975-81-1
Formula: C11H14N2O • C2H2O4
26699
CN([H])CCC1=CNC2=CC=C(O)C=C21.OC(C(O)=O)=O
5-HYDROXY OMEPRAZOLE
CAS:92340-57-3
Formula: C17H19N3O4S
1.0009e+007
COC1=CC=C2C(N=C(S(CC3=C(C)C(OC)=C(CO)C=N3)=O)N2[H])=C1
5-HYDROXY PROPRANOLOL
CAS:81907-82-6
Formula: C16H21NO3
19880
OC(CNC(C)C)COC1=CC=CC2=C1C=CC=C2O
5-HYDROXY SAXAGLIPTIN (HYDROCHLORIDE)
Formula: C18H25N3O3 • HCl
26710
O=C(N1[C@H](C#N)C[C@H]2[C@@H]1C2)[C@H]([C@@]3(C[C@H](C4)C5)C[C@@]5(O)C[C@@]4(O)C3)N.Cl
5-HYDROXY THIABENDAZOLE
CAS:948-71-0
Formula: C10H7N3OS
25021
OC1=CC=C(N=C(C2=CSC=N2)N3)C3=C1
5-HYDROXY TRYPTOPHOL
CAS:154-02-9
Formula: C10H11NO2
16114
OCCC1=CNC2=C1C=C(O)C=C2
5-HYDROXY-6-METHOXY (S)-DULOXETINE
CAS:741693-79-8
Formula: C19H21NO3S
28127
CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C(O)C(OC)=CC=C32
5-HYDROXYINDOLE
CAS:1953-54-4
Formula: C8H7NO
36431
OC1=CC2=C(NC=C2)C=C1
5-HYDROXYMETHYL TOLTERODINE (FORMATE)
CAS:380636-49-7
Formula: C22H31NO2 • CH2O2
27833
OC1=C([C@@H](C2=CC=CC=C2)CCN(C(C)C)C(C)C)C=C(CO)C=C1.OC=O
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACID
CAS:6338-41-6
Formula: C6H6O4
22999
OC(C1=CC=C(CO)O1)=O
5-HYDROXYMETHYLFURFURAL
CAS:67-47-0
Formula: C6H6O3
27835
OCC1=CC=C(C=O)O1
5-IAF
CAS:63368-54-7
Formula: C22H14INO6
26807
OC1=CC=C(C2(C(C=CC(NC(CI)=O)=C3)=C3C(O2)=O)C(C=CC(O)=C4)=C4O5)C5=C1
5-IODO-2'-DEOXYCYTIDINE
CAS:611-53-0
Formula: C9H12IN3O4
35696
OC[C@@H]1[C@@H](O)C[C@H](N2C=C(I)C(N)=NC2=O)O1
5-IODOTUBERCIDIN
CAS:24386-93-4
Formula: C11H13IN4O4
1.00104e+007
IC1=CN([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)C3=C1C(N)=NC=N3
5-IODOURIDINE
CAS:1024-99-3
Formula: C9H11IN2O6
35697
O[C@H]1[C@H](N2C(NC(C(I)=C2)=O)=O)O[C@@H]([C@H]1O)CO
5-IT
CAS:3784-30-3
Formula: C11H14N2
12042
NC(C)CC1=CC(C=CN2)=C2C=C1
5-MAPB (HYDROCHLORIDE)
CAS:1823925-53-6
Formula: C12H15NO • HCl
14109
CC(NC)CC1=CC(C=CO2)=C2C=C1.Cl
5-MAPDB (HYDROCHLORIDE)
CAS:2748590-04-5
Formula: C12H17NO • HCl
14111
CC(NC)CC1=CC(CCO2)=C2C=C1.Cl
5-METHOXY AMT
CAS:1137-04-8
Formula: C12H16N2O
11553
CC(N)CC1=CNC2=CC=C(OC)C=C21
5-METHOXY DALT
CAS:928822-98-4
Formula: C17H22N2O
10729
COC1=CC=C(NC=C2CCN(CC=C)CC=C)C2=C1
5-METHOXY DBT
CAS:73785-42-9
Formula: C19H30N2O
27465
COC1=CC=C(NC=C2CCN(CCCC)CCCC)C2=C1
5-METHOXY DIBT (HYDROCHLORIDE)
Formula: C19H30N2O • HCl
27506
COC1=CC=C(NC=C2CCN(CC(C)C)CC(C)C)C2=C1.Cl
5-METHOXY DIPT
CAS:4021-34-5
Formula: C17H26N2O
11865
CC(C)N(C(C)C)CCC1=CNC2=C1C=C(OC)C=C2
5-METHOXY DMT
CAS:1019-45-0
Formula: C13H18N2O
11480
COC1=CC=C(NC=C2CCN(C)C)C2=C1
5-methoxy DMT (fumarate)
CAS:2641604-92-2
Formula: C13H18N2O • C4H4O4
35025
OC(/C=C/C(O)=O)=O.CN(C)CCC(C1=C2)=CNC1=CC=C2OC
5-methoxy DMT (succinate)
CAS:2568048-63-3
Formula: C13H18N2O • C4H6O4
37552
CN(C)CCC1=CNC2=CC=C(OC)C=C12.O=C(CCC(O)=O)O
5-methoxy DMT-d4
CAS:66521-37-7
Formula: C13H14D4N2O
38748
CN(C)C([2H])([2H])C([2H])([2H])C1=CNC2=CC=C(OC)C=C21
5-METHOXY MET
CAS:16977-53-0
Formula: C14H20N2O
29349
CN(CC)CCC1=CNC2=CC=C(OC)C=C21
5-METHOXY MIPT
CAS:96096-55-8
Formula: C15H22N2O
11482
COC1=CC=C(NC=C2CCN(C)C(C)C)C2=C1
5-METHOXY N,N-DIETHYL HEXYLONE (HYDROCHLORIDE)
Formula: C18H27NO4 • HCl
28234
O=C(C(CCCC)N(CC)CC)C1=CC(OCO2)=C2C(OC)=C1.Cl
5-methoxy NiPT
CAS:109921-55-3
Formula: C14H20N2O
35267
COC1=CC=C(NC=C2CCNC(C)C)C2=C1
5-METHOXY NMT
CAS:2009-03-2
Formula: C12H16N2O
28278
CNCCC1=CNC2=CC=CC=C21
5-methoxy Pyrrolidinyltryptamine
Formula: C15H20N2O
35512
COC1=CC=C2NC=C(CCN3CCCC3)C2=C1
5-methoxy Tryptamine (hydrochloride)
CAS:66-83-1
Formula: C11H14N2O • HCl
36784
NCCC1=CNC2=C1C=C(OC)C=C2.Cl
5-METHOXY-A-ETHYLTRYPTAMINE
CAS:4765-10-0
Formula: C13H18N2O
14172
NC(CC)CC1=CNC2=CC=C(OC)C=C21
5-METHOXY-DL-TRYPTOPHAN
CAS:28052-84-8
Formula: C12H14N2O3
31222
NC(C(O)=O)CC1=CNC2=CC=C(OC)C=C21
5-METHOXY-N,N-DIETHYLPENTYLONE (HYDROCHLORIDE)
Formula: C17H25NO4 • HCl
27398
O=C(C(N(CC)CC)CCC)C1=CC(OCO2)=C2C(OC)=C1.Cl
5-METHOXYCANTHINONE
CAS:15071-56-4
Formula: C15H10N2O2
31342
O=C1C(OC)=CC2=C3C(C4=C(C=CC=C4)N31)=CC=N2
5-METHOXYCARBONYLAMINO-N-ACETYLTRYPTAMINE
CAS:190277-13-5
Formula: C14H17N3O3
39553
O=C(C)NCCC1=CNC2=C1C=C(NC(OC)=O)C=C2
5-METHOXYINDOLE-3-ACETIC ACID
CAS:3471-31-6
Formula: C11H11NO3
14019
OC(CC1=CNC2=CC=C(OC)C=C21)=O
5-METHYL CHRYSENE
CAS:3697-24-3
Formula: C19H14
18677
CC1=CC2=CC=CC=C2C3=C1C(C=CC=C4)=C4C=C3
5-methyl Etodesnitazene (citrate)
Formula: C23H31N3O • C6H8O7
36767
CCN(CC)CCN1C(CC2=CC=C(OCC)C=C2)=NC3=CC(C)=CC=C31.OC(CC(O)=O)(C(O)=O)CC(O)=O
5-methyl Metodesnitazene (citrate)
Formula: C22H29N3O • C6H8O7
39124
CCN(CC)CCN1C2=CC=C(C)C=C2N=C1CC3=CC=C(OC)C=C3.OC(CC(O)=O)(C(O)=O)CC(O)=O
5-methyl Thiopropamine (hydrochloride)
Formula: C8H13NS • HCl
37743
CC1=CC=C(CC(C)N)S1.Cl
5-METHYL-2'-DEOXYCYTIDINE
CAS:838-07-3
Formula: C10H15N3O4
16166
O=C(N=C(N)C(C)=C1)N1[C@H]2C[C@H](O)[C@@H](CO)O2
5-METHYL-2'-O-METHYLCYTIDINE
CAS:113886-70-7
Formula: C11H17N3O5
37908
CC(C(N)=N1)=CN([C@H]2[C@H](OC)[C@H](O)[C@@H](CO)O2)C1=O
5-METHYL-2-HOBA (HYDROCHLORIDE)
CAS:2044714-53-4
Formula: C8H11NO • HCl
25351
NCC1=C(O)C=CC(C)=C1.Cl
5-METHYL-7-METHOXYISOFLAVONE
CAS:82517-12-2
Formula: C17H14O3
39267
O=C1C(C2=CC=CC=C2)=COC3=CC(OC)=CC(C)=C31
5-METHYLCYTIDINE
CAS:2140-61-6
Formula: C10H15N3O5
16111
O=C(N=C(N)C(C)=C1)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2
5-METHYLCYTOSINE
CAS:554-01-8
Formula: C5H7N3O
38741
O=C1N=CC(C)=C(N1)N
5-METHYLTETRAHYDROFOLIC ACID (HYDRATE)
Formula: C20H25N7O6 • XH2O
16159
O=C1C2=C(NCC(CNC3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)N2C)NC(N)=N1.O
5-METHYLTHIO DMT
CAS:5102-11-4
Formula: C13H18N2S
35046
CN(C)CCC1=CNC2=C1C=C(C=C2)SC
5-METHYLURIDINE
CAS:1463-10-1
Formula: C10H14N2O6
27986
O=C(NC(C(C)=C1)=O)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2
5-MMPA (HYDROCHLORIDE)
CAS:2743746-59-8
Formula: C9H15NS • HCl
31292
CC1=CC=C(CC(C)NC)S1.Cl
5-NITRO-2-(BROMOACETAMIDO)BENZOPHENONE
CAS:2011-70-3
Formula: C15H11BrN2O4
38114
O=C(C1=CC([N+]([O-])=O)=CC=C1NC(CBr)=O)C2=CC=CC=C2
5-O-Caffeoylquinic acid
CAS:906-33-2
Formula: C16H18O9
25054
OC1=CC=C(/C=C/C(O[C@@H]2C[C@](C(O)=O)(O)C[C@@H](O)[C@@H]2O)=O)C=C1O
5-O-DEMETHYLNOBILETIN
CAS:2174-59-6
Formula: C20H20O8
35230
O=C1C=C(C2=CC(OC)=C(OC)C=C2)OC3=C(C(OC)=C(C(O)=C13)OC)OC
5-O-METHYLVISAMMIOSIDE
CAS:84272-85-5
Formula: C22H28O10
39250
COC1=C(C[C@H]2C(C)(C)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@H]3O)CO)C(O2)=CC(OC(C)=C4)=C1C4=O
5-OCTYL D-GLUTAMATE
CAS:149332-65-0
Formula: C13H25NO4
16106
CCCCCCCCOC(CC[C@@H](N)C(O)=O)=O
5-OCTYL L-GLUTAMATE
CAS:4852-91-9
Formula: C13H25NO4
16107
CCCCCCCCOC(CC[C@H](N)C(O)=O)=O
5-OCTYL-A-KETOGLUTARATE
CAS:1616344-00-3
Formula: C13H22O5
16105
CCCCCCCCOC(CCC(C(O)=O)=O)=O
5-Ph-IAA
CAS:168649-23-8
Formula: C16H13NO2
38161
O=C(CC1=CNC2=CC=C(C3=CC=CC=C3)C=C21)O
5-PHENYLLEVULINIC ACID
CAS:3183-15-1
Formula: C11H12O3
28401
O=C(CCC(O)=O)CC1=CC=CC=C1
5-PHOSPHO-D-RIBOSE 1-DIPHOSPHATE (SODIUM SALT HYDRATE)
Formula: C5H8O14P3 • 5Na [XH2O]
18897
O[C@H]1[C@@H](OP(OP([O-])([O-])=O)([O-])=O)O[C@H](COP([O-])([O-])=O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+]
5-TRANS PROSTAGLANDIN D2
CAS:2202725-84-4
Formula: C20H32O5
12210
O[C@@H](C1)[C@H](C/C=C/CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C1=O
5-TRANS PROSTAGLANDIN E2
CAS:36150-00-2
Formula: C20H32O5
14210
O=C1[C@H](C/C=C/CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
5-TRANS PROSTAGLANDIN F2A
CAS:36150-01-3
Formula: C20H34O5
16210
O[C@@H]1[C@H](C/C=C/CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
5-TRANS PROSTAGLANDIN F2A (TROMETHAMINE SALT)
CAS:330796-56-0
Formula: C20H33O5 • C4H12NO3
16220
O[C@@H]1[C@H](C/C=C/CCCC([O-])=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1.[NH3+]C(CO)(CO)CO
5-TRICOSYLRESORCINOL
CAS:70110-60-0
Formula: C29H52O2
30032
OC1=CC(O)=CC(CCCCCCCCCCCCCCCCCCCCCCC)=C1
5A,6A-EPOXY CHOLESTANOL
CAS:1250-95-9
Formula: C27H46O2
25539
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@H]4[C@@]5(O4)C[C@@H](O)CC[C@]5(C)[C@@]3([H])CC[C@@]21C
5a,6ß-Dihydroxycholestanol
CAS:1253-84-5
Formula: C27H48O3
25538
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
5a,6ß-Dihydroxycholestanol-d7
CAS:127684-07-5
Formula: C27H41D7O3
25968
C[C@H](CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
5A-ANDROST-16-EN-3-ONE
CAS:18339-16-7
Formula: C19H28O
18233
O=C1CC[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC=C4)([H])C1
5A-ANDROST-16-EN-3A-OL
CAS:1153-51-1
Formula: C19H30O
33457
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@@H](CC2)O)([H])[C@@]4([H])[C@](CC3)(C=CC4)C
5A-ANDROST-2-ENE-17-ONE
CAS:963-75-7
Formula: C19H28O
21302
O=C1CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC=CC[C@]4(C)[C@@]3([H])CC[C@@]21C
5A-ANDROSTAN-3,6,17-TRIONE
CAS:2243-05-2
Formula: C19H26O3
17945
[H][C@]12[C@@]([C@@](CCC3=O)([H])[C@]3(C)CC2)([H])CC([C@@]4([H])CC(CC[C@@]41C)=O)=O
5a-Androstan-3ß-ol
CAS:1224-92-6
Formula: C19H32O
34719
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@H](CC2)O)([H])[C@@]4([H])[C@](CC3)(CCC4)C
5A-CHOLANIC ACID-3,6-DIONE
CAS:6929-22-2
Formula: C24H36O4
36184
C[C@@]12[C@]3([H])[C@](CC([C@@]1([H])CC(CC2)=O)=O)([H])[C@@]4([H])[C@](CC3)([C@]([C@@H](CCC(O)=O)C)([H])CC4)C
5A-CHOLESTANE
CAS:481-21-0
Formula: C27H48
26763
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@@]21C
5A-DIHYDRO LEVONORGESTREL
CAS:78088-19-4
Formula: C21H30O2
27854
O[C@@]1(C#C)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(CC[C@]4([H])[C@@]3([H])CC[C@@]21CC)=O
5A-DIHYDRO-11-KETO TESTOSTERONE
CAS:32694-37-4
Formula: C19H28O3
20200
O[C@H]1CC[C@@]([C@]1(C)C2)([H])[C@]3([H])CC[C@@]4([H])CC(CC[C@]4(C)[C@@]3([H])C2=O)=O
5A-DIHYDRO-11-KETO TESTOSTERONE-D3
Formula: C19H25D3O3
9.00276e+006
O[C@@]1([2H])C([2H])([2H])C[C@@]([C@]1(C)C2)([H])[C@]3([H])CC[C@@]4([H])CC(CC[C@]4(C)[C@@]3([H])C2=O)=O
5A-DIHYDROPROGESTERONE
CAS:566-65-4
Formula: C21H32O2
31505
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@H](CC4)C(C)=O)C
5A-HYDROXY LAXOGENIN
CAS:56786-63-1
Formula: C27H42O5
27665
C[C@H](CC1)CO[C@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC([C@@]6(O)C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C)=O
5A-HYDROXY-6-KETO CHOLESTEROL
CAS:13027-33-3
Formula: C27H46O3
1.00076e+007
O=C1[C@@]2(O)C[C@@H](O)CC[C@]2(C)[C@]3([H])[C@@]([C@@](CC[C@]4([H])[C@H](C)CCCC(C)C)([H])[C@]4(C)CC3)([H])C1
5A-PREGNANE-3A,20A-DIOL
CAS:566-58-5
Formula: C21H36O2
38890
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@@H](CC2)O)([H])[C@@]4([H])[C@](CC3)([C@]([C@@H](O)C)([H])CC4)C
5Br-INACA
CAS:1799421-04-7
Formula: C8H6BrN3O
37881
NC(C1=NNC2=C1C=C(Br)C=C2)=O
5ß,6ß-epoxy Cholestanol
CAS:4025-59-6
Formula: C27H46O2
25603
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@@H]4[C@]5(O4)C[C@@H](O)CC[C@]5(C)[C@@]3([H])CC[C@@]21C
5ß-Androstane-3a,17ß-diol
CAS:1851-23-6
Formula: C19H32O2
33569
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)O)C
5ß-Dihydroprogesterone
CAS:128-23-4
Formula: C21H32O2
34644
C[C@@]12[C@]3([H])[C@](CC[C@]1([H])CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@H](CC4)C(C)=O)C
5ß-Tetrahydrocortisol
CAS:53-02-1
Formula: C21H34O5
34195
C[C@@]12[C@](CC[C@]2(O)C(CO)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4([C@](C[C@@H](CC4)O)([H])CC3)C
6',7'-epoxy Cannabigerol
CAS:140381-46-0
Formula: C21H32O3
37967
OC1=CC(CCCCC)=CC(O)=C1C/C=C(C)/CCC2C(C)(O2)C
6'-SIALYLLACTOSE (SODIUM SALT)
CAS:157574-76-0
Formula: C23H38NO19 • Na
17866
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C([O-])=O)O[C@]([C@@H]([C@H](O)CO)O)([H])[C@H](NC(C)=O)[C@@H](O)C2)O[C@H]1O[C@@]([C@H](O)CO)([H])[C@H](O)[C@@H](O)C=O.[Na+]
6(5H)-PHENANTHRIDINONE
CAS:1015-89-0
Formula: C13H9NO
28730
O=C1C2=C(C=CC=C2)C3=CC=CC=C3N1
6,2',4'-TRIMETHOXYFLAVONE
CAS:720675-74-1
Formula: C18H16O5
33150
O=C1C2=CC(OC)=CC=C2OC(C3=CC=C(C=C3OC)OC)=C1
6,7,4'-TRIHYDROXYISOFLAVONE
CAS:17817-31-1
Formula: C15H10O5
35405
O=C1C(C2=CC=C(O)C=C2)=COC3=CC(O)=C(C=C13)O
6,7-DIHYDRO-5H-QUINOLIN-8-ONE
CAS:56826-69-8
Formula: C9H9NO
30480
O=C1CCCC2=CC=CN=C21
6,7-DIHYDROXY BERGAMOTTIN
CAS:145414-76-2
Formula: C21H24O6
1.00096e+007
O=C1C=CC2=C(OC/C=C(C)/CCC(O)C(C)(O)C)C3=C(OC=C3)C=C2O1
6,7-DIMETHYL-5,6,7,8-TETRAHYDROPTERIN (HYDROCHLORIDE)
CAS:945-43-7
Formula: C8H13N5O • HCl
21050
NC(NC1=C2NC(C)C(C)N1)=NC2=O.Cl
6,7-DIMETHYL-8-RIBITYLLUMAZINE
CAS:2535-20-8
Formula: C13H18N4O6
23370
CC1=C(C)N=C(C(N2)=O)C(N1C[C@H](O)[C@H](O)[C@H](O)CO)=NC2=O
6,7-DIMETHYLPTERIN
CAS:611-55-2
Formula: C8H9N5O
30887
O=C1N=C(N)N=C2NC(C)=C(C)N=C21
6,8-DIFLUORO-7-HYDROXY-4-METHYLCOUMARIN
CAS:215868-23-8
Formula: C10H6F2O3
36017
O=C1OC2=C(C(O)=C(C=C2C(C)=C1)F)F
6,9-DICHLORO-1,2,3,4-TETRAHYDROACRIDINE
CAS:5396-25-8
Formula: C13H11Cl2N
30502
ClC1=C2C(CCCC2)=NC3=CC(Cl)=CC=C31
6-(4-METHOXYPHENYL)-3-PYRIDAZINAMINE
CAS:4776-87-8
Formula: C11H11N3O
17588
NC1=NN=C(C2=CC=C(OC)C=C2)C=C1
6-(DIMETHYLAMINO)PURINE
CAS:938-55-6
Formula: C7H9N5
38963
CN(C)C1=C2NC=NC2=NC=N1
6-ACETYLCODEINE
CAS:6703-27-1
Formula: C20H23NO4
17048
CN1[C@H]2[C@@]3([H])[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@H](C=C3)OC(C)=O
6-alkyne NAD+ (sodium salt)
Formula: C24H28N7O14P2 • Na
38485
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC(C(N)=O)=CC=C3)O2)([O-])=O)=O)O[C@H]1N4C=NC5=C(NCC#C)N=CN=C54.[Na+]
6-AMINO-8-TRIFLUOROMETHYLPHENANTHRIDINE
CAS:651055-83-3
Formula: C14H9F3N2
26419
NC1=C(C=C(C(F)(F)F)C=C2)C2=C(C=CC=C3)C3=N1
6-AMINOCAPROIC ACID
CAS:60-32-2
Formula: C6H13NO2
23724
OC(CCCCCN)=O
6-AMINONICOTINAMIDE
CAS:329-89-5
Formula: C6H7N3O
1.00093e+007
Nc1ccc(cn1)C(=O)N
6-AMINOPENICILLANIC ACID
CAS:551-16-6
Formula: C8H12N2O3S
34494
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)N)=O
6-APB (HYDROCHLORIDE)
CAS:286834-84-2
Formula: C11H13NO • HCl
11079
CC(N)CC1=CC2=C(C=C1)C=CO2.Cl
6-APDB (HYDROCHLORIDE)
CAS:1281872-58-9
Formula: C11H15NO • HCl
11146
NC(C)CC1=CC(OCC2)=C2C=C1.Cl
6-AZIDOHEXANOIC ACID
CAS:79598-53-1
Formula: C6H11N3O2
16518
OC(CCCCCN=[N+]=[N-])=O
6-Biotin-17-NAD+ (sodium salt)
Formula: C45H67N12O18P2S • Na
38489
O[C@H]([C@@H]1O)[C@H](N2C=NC3=C(NCCNC(CCCCCNC(CCCCCNC(CCCC[C@H]4[C@]5(NC(N[C@]5(CS4)[H])=O)[H])=O)=O)=O)N=CN=C23)O[C@@H]1COP([O-])(OP([O-])(OC[C@@H]6[C@@H](O)[C@@H](O)[C@H]([N+]7=CC=CC(C(N)=O)=C7)O6)=O)=O.[Na+]
6-BROMO-2-OXINDOLE
CAS:99365-40-9
Formula: C8H6BrNO
20041
BrC1=CC=C(CC(N2)=O)C2=C1
6-BROMO-MDMA (HYDROCHLORIDE)
Formula: C11H14BrNO2 • HCl
9.00194e+006
BrC1=C(CC(C)NC)C=C2C(OCO2)=C1.Cl
6-BROMOISOQUINOLINE
CAS:34784-05-9
Formula: C9H6BrN
1.00071e+007
Brc1ccc2CNCCc2c1
6-CARBOXYFLUORESCEIN
CAS:3301-79-9
Formula: C21H12O7
21233
OC1=CC=C(C2(C(C=C(C(O)=O)C=C3)=C3C(O2)=O)C(C=CC(O)=C4)=C4O5)C5=C1
6-CARBOXYTETRAMETHYLRHODAMINE
CAS:91809-67-5
Formula: C25H22N2O5
29046
[O-]C(C(C=CC(C(O)=O)=C1)=C1C2=C3C=CC(N(C)C)=CC3=[O+]C4=C2C=CC(N(C)C)=C4)=O
6-CHLORO-2-FLUOROPURINE
CAS:1651-29-2
Formula: C5H2ClFN4
30481
ClC1=C2C(N=CN2)=NC(F)=N1
6-Chloro-3-indolyl-ß-D-Glucuronide (cyclohexylammonium salt)
CAS:138182-20-4
Formula: C14H14ClNO7 • C6H13N
30131
ClC1=CC=C(C(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=CN3)C3=C1.NC4CCCCC4
6-CHLORO-MDMA (HYDROCHLORIDE)
Formula: C11H14ClNO2 • HCl
9.00194e+006
ClC1=C(CC(C)NC)C=C2C(OCO2)=C1.Cl
6-CHLOROPURINE
CAS:87-42-3
Formula: C5H3ClN4
38879
ClC1=C2NC=NC2=NC=N1
6-CHLOROPURINE RIBOSIDE
CAS:5399-87-1
Formula: C10H11ClN4O4
36002
ClC1=C(N=CN2[C@]3([H])O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1
6-Chloropurine riboside-5'-O-diphosphate (sodium salt)
Formula: C10H10ClN4O10P2 • 3Na
38552
[O-]P([O-])(OP([O-])(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C3=NC=NC(Cl)=C3N=C2)=O)=O.[Na+].[Na+].[Na+]
6-Chloropurine riboside-5'-triphosphate (sodium salt)
Formula: C10H10ClN4O13P3 • 4Na
38553
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(Cl)=C3N=C2)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
6-CHRYSENAMINE
CAS:2642-98-0
Formula: C18H13N
35780
NC1=CC2=C(C3=C1C=CC=C3)C=CC4=C2C=CC=C4
6-DEOXY-8-O-METHYLRABELOMYCIN
CAS:117620-87-8
Formula: C20H16O5
40662
O=C1C2=C(C=CC3=C2C(C4=CC=CC(OC)=C4C3=O)=O)C[C@](O)(C)C1
6-DEOXY-L-TALOSE
CAS:7658-10-8
Formula: C6H12O5
20911
O=C[C@@H]([C@H](O)[C@@H]([C@H](C)O)O)O
6-DEOXYPENCICLOVIR
CAS:104227-86-3
Formula: C10H15N5O2
35602
OCC(CCN1C=NC2=CN=C(N)N=C21)CO
6-ECDCA
CAS:459789-99-2
Formula: C26H44O4
11031
O[C@@H]1CC[C@@]2(C)[C@@]([C@@H](CC)[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])C1
6-ETHYL-2,7-DIMETHOXYJUGLONE
CAS:15254-86-1
Formula: C14H14O5
28049
O=C(C=C1OC)C2=C(C=C(OC)C(CC)=C2O)C1=O
6-Fluo-10-NAD+ (sodium salt)
Formula: C50H52N9O21P2 • Na
38834
NC(C1=C[N+]([C@H](O[C@@H]2COP([O-])(OP([O-])(OC[C@H]3O[C@H]([C@@H]([C@@H]3O)O)N4C5=NC=NC(NCCNC(CCCCCNC(C6=CC=C(C(O)=O)C(C7=C(C=C8)C(OC9=C7C=CC(O)=C9)=CC8=O)=C6)=O)=O)=C5N=C4)=O)=O)[C@@H]([C@@H]2O)O)=CC=C1)=O.O=C(CCCCCNC(C%10=CC=C(C%11=C(C=C%12)C(OC%13=C%1
6-FLUORO DET
CAS:2836-69-3
Formula: C14H19FN2
20834
CCN(CC)CCC1=CNC2=CC(F)=CC=C21
6-FLUORO-DL-TRYPTOPHAN
CAS:7730-20-3
Formula: C11H11FN2O2
17643
FC1=CC2=C(C(CC(N)C(O)=O)=CN2)C=C1
6-FORMYLINDOLO[3,2-B]CARBAZOLE
CAS:172922-91-7
Formula: C19H12N2O
19529
[H]C(C1=C2C(C(C=CC=C3)=C3N2)=CC4=C1C(C=CC=C5)=C5N4)=O
6-FORMYLPTERIN
CAS:712-30-1
Formula: C7H5N5O2
14247
O=C1C2=C(N=CC(C=O)=N2)N=C(N)N1
6-HYDROXY BEXAROTENE
CAS:368451-07-4
Formula: C24H28O3
22098
CC(C(C(C1=CC=C(C(O)=O)C=C1)=C)=C2)=CC3=C2C(C)(C)CC(O)C3(C)C
6-HYDROXY BUSPIRONE
CAS:125481-61-0
Formula: C21H31N5O3
39807
OC(C(N1CCCCN2CCN(CC2)C3=NC=CC=N3)=O)C4(CC1=O)CCCC4
6-HYDROXY CHLORZOXAZONE
CAS:1750-45-4
Formula: C7H4ClNO3
1.0009e+007
O=c1[nH]c2cc(Cl)c(O)cc2o1
6-hydroxy DMT (hemifumarate)
Formula: C12H16N2O • 1/2C4H4O4
38982
CN(C)CCC1=CNC2=CC(O)=CC=C12.OC(/C=C/C(O)=O)=O
6-HYDROXY ETODOLAC
CAS:101901-06-8
Formula: C17H21NO4
34211
O=C(CC1(CC)OCCC2=C1NC3=C2C=C(C=C3CC)O)O
6-HYDROXY MELATONIN
CAS:2208-41-5
Formula: C13H16N2O3
21857
COC1=C(O)C=C(NC=C2CCNC(C)=O)C2=C1
6-HYDROXY RAMULOSIN
CAS:29913-85-7
Formula: C10H14O4
28587
[H][C@]1(C[C@H]2O)C[C@H](OC(C1=C(C2)O)=O)C
6-HYDROXY WARFARIN
CAS:17834-02-5
Formula: C19H16O5
9.00063e+006
O=C1OC2=CC=C(O)C=C2C(O)=C1C(C3=CC=CC=C3)CC(C)=O
6-HYDROXYPYRIDIN-3-YLBORONIC ACID
CAS:903899-13-8
Formula: C5H6BNO3
30492
O=C1C=CC(B(O)O)=CN1
6-IT
CAS:21005-63-0
Formula: C11H14N2
13938
NC(C)CC1=CC(NC=C2)=C2C=C1
6-KETO LITHOCHOLIC ACID
CAS:2393-61-5
Formula: C24H38O4
35373
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)=O
6-KETO PROSTAGLANDIN F1A
CAS:58962-34-8
Formula: C20H34O6
15210
O[C@@H]1[C@H](CC(CCCCC(O)=O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
6-MAPB (HYDROCHLORIDE)
CAS:2731011-08-6
Formula: C12H15NO • HCl
14110
CC(NC)CC1=CC(OC=C2)=C2C=C1.Cl
6-MERCAPTOPURINE (HYDRATE)
CAS:6112-76-1
Formula: C5H4N4S • H2O
23675
S=C1C2=C(NC=N2)N=CN1.O
6-MERCAPTOPURINE RIBOSIDE
CAS:574-25-4
Formula: C10H12N4O4S
40331
O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C3=C(C(N=CN3)=S)N=C2
6-METHOXY DMT
CAS:2426-88-2
Formula: C13H18N2O
33626
CN(C)CCC1=CNC2=C1C=CC(OC)=C2
6-METHOXY NAPHTHALENE ACETIC ACID
CAS:23981-47-7
Formula: C13H12O3
70620
COC1=CC(C=CC(CC(O)=O)=C2)=C2C=C1
6-METHOXY-2-NAPHTHOIC ACID
CAS:2471-70-7
Formula: C12H10O3
35374
COC1=CC2=C(C=C1)C=C(C(O)=O)C=C2
6-METHYLMERCAPTOPURINE
CAS:50-66-8
Formula: C6H6N4S
34356
CSC1=C2NC=NC2=NC=N1
6-METHYLMERCAPTOPURINE-D3
CAS:33312-93-5
Formula: C6H3D3N4S
36321
[2H]C([2H])([2H])SC1=C2C(N=CN2)=NC=N1
6-METHYLPTERIN
CAS:708-75-8
Formula: C7H7N5O
35380
O=C1N=C(N)N=C2NC=C(C)N=C21
6-NBDG
CAS:108708-22-1
Formula: C12H14N4O8
13961
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CNC2=CC=C([N+]([O-])=O)C3=NON=C23
6-NITROVERATRALDEHYDE
CAS:20357-25-9
Formula: C9H9NO5
23364
COC1=CC([N+]([O-])=O)=C(C=O)C=C1OC
6-O-DEMETHYL GRISEOFULVIN
CAS:20168-88-1
Formula: C16H15ClO6
33118
O=C1[C@@]2([C@H](C)CC(C=C2OC)=O)OC3=C(Cl)C(O)=CC(OC)=C31
6-O-DESMETHYL DONEPEZIL
CAS:120013-56-1
Formula: C23H27NO3
27175
O=C1C(CC2CCN(CC3=CC=CC=C3)CC2)CC4=CC(OC)=C(O)C=C41
6-O-Methylreticulol
CAS:24350-93-4
Formula: C12H12O5
40221
O=C1OC(C)=CC2=C1C(O)=C(OC)C(OC)=C2
6-O-Sulfo-ß-cyclodextrin (sodium salt)
CAS:197587-31-8
Formula: C42H63O56S7 • 7Na
30168
O[C@H]1[C@@](O[C@](O[C@H](COS(=O)([O-])=O)[C@](O[C@](O[C@H](COS(=O)([O-])=O)[C@](O[C@](O[C@H](COS(=O)([O-])=O)[C@](O2)([H])[C@@H]3O)([H])[C@@H]3O)([H])[C@@H]4O)([H])[C@@H]4O)([H])[C@@H]5O)([H])[C@@H]5O)([H])[C@H](O[C@@](O[C@]([C@@H]6O)([H])[C@H](O[C@@](O[
6-OAU
CAS:83797-69-7
Formula: C12H21N3O2
17687
O=C1NC(NCCCCCCCC)=CC(N1)=O
6-OHDA (HYDROBROMIDE)
CAS:636-00-0
Formula: C8H11NO3 • HBr
25330
OC1=CC(O)=C(CCN)C=C1O.Br
6-PARADOL
CAS:27113-22-0
Formula: C17H26O3
27554
O=C(CCCCCCC)CCC1=CC(OC)=C(O)C=C1
6-Phosphoglucono-d-lactone (ammonium salt)
Formula: C6H11O9P • xNH3
38515
O[C@@H]([C@@H]([C@H](C(O1)=O)O)O)[C@H]1COP(O)(O)=O.N
6-PIPERAZIN-1-YL-ISOQUINOLINE (HYDROCHLORIDE)
CAS:936643-77-5
Formula: C13H15N3 • HCl
1.00071e+007
C12=CC=C(N3CCNCC3)C=C1C=CN=C2.Cl
6-PPD
CAS:793-24-8
Formula: C18H24N2
38246
CC(CC(C)C)NC(C=C1)=CC=C1NC2=CC=CC=C2
6-PPD-Q
CAS:2754428-18-5
Formula: C18H22N2O2
38247
CC(CC(C)C)NC1=CC(C(NC2=CC=CC=C2)=CC1=O)=O
6-PRENYLINDOLE
CAS:23158-16-9
Formula: C13H15N
28465
C/C(C)=C/CC1=CC=C(C=CN2)C2=C1
6-THIO-2'-DEOXYGUANOSINE
CAS:789-61-7
Formula: C10H13N5O3S
19154
O[C@H]1C[C@H](N2C=NC3=C2N=C(N)NC3=S)O[C@@H]1CO
6-THIOGUANOSINE
CAS:85-31-4
Formula: C10H13N5O4S
36539
S=C1C2=C(NC(N)=N1)N([C@]3([H])O[C@@H]([C@H]([C@H]3O)O)CO)C=N2
6-Thioguanosine-5'-O-diphosphate (sodium salt)
Formula: C10H12N5O10P2S • 3Na
38389
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP([O-])([O-])=O)=O)O[C@H]1N2C=NC3=C2NC(N)=NC3=S.[Na+].[Na+].[Na+]
6-Thioguanosine-5'-O-triphosphate (sodium salt)
Formula: C10H12N5O13P3S • 4Na
38390
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OP([O-])([O-])=O)([O-])=O)=O)O[C@H]1N2C=NC3=C2NC(N)=NC3=S.[Na+].[Na+].[Na+].[Na+]
6’,7’-EPOXYBERGAMOTTIN
CAS:206978-14-5
Formula: C21H22O5
19760
O=C1C=CC2=C(OC/C=C(C)/CCC3C(C)(C)O3)C4=C(OC=C4)C=C2O1
666-15
CAS:1433286-70-4
Formula: C33H30ClN3O5 • HCl
30780
O=C(NCCOC1=CC(C=CC=C2)=C2C=C1C(NC3=C(O)C=C(Cl)C=C3)=O)C4=CC(C=CC=C5)=C5C=C4OCCCN.Cl
680C91
CAS:163239-22-3
Formula: C15H11FN2
34823
FC1=CC=C2C(/C=C/C3=CN=CC=C3)=CNC2=C1
6A-CHLORO TESTOSTERONE
CAS:847674-32-2
Formula: C19H27ClO2
24557
O[C@H]1CC[C@@]2([H])[C@]3([H])C[C@H](Cl)C4=CC(CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
6A-HYDROXY CHOLESTEROL
CAS:41083-73-2
Formula: C27H48O2
25715
O[C@H]1CC[C@@]2(C)[C@]([C@@H](O)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C)C)C)([H])C1
6A-HYDROXY METHANDIENONE
CAS:55720-48-4
Formula: C20H28O3
24827
O=C1C=C[C@@]2(C)C([C@@H](O)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)=C1
6A-HYDROXY PACLITAXEL
CAS:153212-75-0
Formula: C47H51NO15
1.0009e+007
O[C@@H](C(O[C@H]1C[C@]([C@H]2OC(C3=CC=CC=C3)=O)(O)C(C)(C)C([C@@H](OC(C)=O)C([C@@]4(C)[C@@]2([H])[C@](OC(C)=O)(CO5)[C@H]5[C@@H](O)[C@@H]4O)=O)=C1C)=O)[C@@H](NC(C6=CC=CC=C6)=O)C7=CC=CC=C7
6A-HYDROXY PACLITAXEL-D5
CAS:1315376-90-9
Formula: C47H46D5NO15
40926
C[C@]1(C([C@@H](C2=C(C)[C@@H](OC([C@H](O)[C@H](C3=CC=CC=C3)NC(C4=C([2H])C([2H])=C([2H])C([2H])=C4[2H])=O)=O)C[C@]5(O)C2(C)C)OC(C)=O)=O)[C@@]([C@@H]5OC(C6=CC=CC=C6)=O)([H])[C@@]([C@@]7([H])[C@@H](O)[C@@H]1O)(CO7)OC(C)=O
6a-methyl-11ß-hydroxy Progesterone
CAS:2668-66-8
Formula: C22H32O3
19533
C[C@@]12[C@](CC[C@@H]2C(C)=O)([H])[C@]3([H])C[C@H](C)C4=CC(CC[C@]4(C)[C@@]3([H])[C@@H](O)C1)=O
6A-METHYL-ANDROST-4-ENE-3,17-DIONE
CAS:2241-94-3
Formula: C20H28O2
18284
O=C1CC[C@@]2(C)C([C@@H](C)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)=C1
6a-Methylprednisolone 21-acetate
CAS:53-36-1
Formula: C24H32O6
35799
C[C@@]12[C@](CC[C@]2(O)C(COC(C)=O)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C([C@H](C3)C)=CC(C=C4)=O)C
6A-METHYLPREDNISOLONE 21-HEMISUCCINATE
CAS:2921-57-5
Formula: C26H34O8
11800
O=C1C=C[C@@]2(C)C([C@@H](C)C[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(COC(CCC(O)=O)=O)=O)=C1
6A-METHYLPREDNISOLONE 21-HEMISUCCINATE (SODIUM SALT)
CAS:2375-03-3
Formula: C26H33O8 • Na
35742
O=C1C=C[C@@]2(C)C([C@@H](C)C[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(COC(CCC(O)=O)=O)=O)=C1.[Na]
6A-OXYCODOL N-OXIDE
CAS:71539-53-2
Formula: C18H23NO5
21539
C[N@@+]1([O-])[C@H]2[C@@]3(O)[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@@H](O)CC3
6A-PROSTAGLANDIN I1
CAS:62777-90-6
Formula: C20H34O5
18110
O[C@H]1[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](C[C@](CCCCC(O)=O)([H])O2)[C@@H]2C1
6H05 (TRIFLUOROACETATE SALT)
CAS:2061344-88-3
Formula: C20H30ClN3O2S3 • CF3COOH
17985
ClC1=CC=C(SCC(N2CCC(C(NCCSSCCN(C)C)=O)CC2)=O)C=C1.FC(F)(C(O)=O)F
6ß-Hydrocodol N-oxide
Formula: C18H23NO4
21535
C[N@@+]1([O-])[C@H]2[C@@]3([H])[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@H](O)CC3
6ß-Hydroxy Budesonide
Formula: C25H34O7
34979
OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@@]5(C([C@@H](C4)O)=CC(C=C5)=O)C)([H])[C@H](C3)O)([H])C[C@@]1([H])OC(O2)CCC)C)=O
6ß-HYDROXY DEXAMETHASONE
CAS:55879-47-5
Formula: C22H29FO6
22099
O=C1C=C[C@@]2(C)C([C@H](O)C[C@]3([H])[C@]2(F)[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@@H](C)[C@]4(O)C(CO)=O)=C1
6ß-Hydroxy Eplerenone
CAS:209253-80-5
Formula: C24H30O7
28859
O=C1CC[C@@]2(C)C([C@H](O)[C@@H](C(OC)=O)[C@]3([H])[C@]2(O4)[C@H]4C[C@@]5(C)[C@@]3([H])CC[C@]56OC(CC6)=O)=C1
6ß-hydroxy Metandienone
CAS:33526-41-9
Formula: C20H28O3
24077
O[C@@]1(C)CC[C@@]2([H])[C@]3([H])C[C@@H](O)C4=CC(C=C[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
6ß-Hydroxy Prednisolone
CAS:16355-29-6
Formula: C21H28O6
35720
C[C@@]12[C@](CC[C@]2(O)C(CO)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C([C@@H](C3)O)=CC(C=C4)=O)C
6ß-Hydroxy Testosterone
CAS:62-99-7
Formula: C19H28O3
1.00085e+007
C[C@@]12[C@](CC[C@@H]2O)([H])[C@]3([H])C[C@@H](O)C4=CC(CC[C@]4(C)[C@@]3([H])CC1)=O
6ß-HYDROXY TRIAMCINOLONE ACETONIDE
CAS:3869-32-7
Formula: C24H31FO7
40122
OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C([C@@H](C4)O)=CC(C=C5)=O)C)F)([H])C[C@@]1([H])OC(C)(O2)C)C)=O
6ß-Oxycodol N-oxide
Formula: C18H23NO5
21541
C[N@@+]1([O-])[C@H]2[C@@]3(O)[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@H](O)CC3
6ß-Prostaglandin I1
CAS:62770-50-7
Formula: C20H34O5
18120
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C[C@@](CCCCC(O)=O)([H])O2
7'-METHOXY NABUTIE
CAS:1438278-55-7
Formula: C25H25NO2
22630
O=C(C1=CN(CCCC)C2=C1C=CC=C2OC)CC3=C(C=CC=C4)C4=CC=C3
7(S),10(S)-DiHOME
CAS:252255-87-1
Formula: C18H34O4
33447
CCCCCCCC[C@H](O)/C=C/[C@@H](O)CCCCCC(O)=O
7,12-DIKETOLITHOCHOLIC ACID
CAS:517-33-9
Formula: C24H36O5
33416
O=C1[C@@]2([H])[C@@]3([H])[C@@]([C@]([C@@H](CCC(O)=O)C)([H])CC3)(C(C[C@]2([H])[C@@]4([C@](C[C@@H](CC4)O)([H])C1)C)=O)C
7,12-DIMETHYLBENZ[A]ANTHRACENE
CAS:57-97-6
Formula: C20H16
30383
CC1=C2C=CC=CC2=C(C)C3=C4C(C=CC=C4)=CC=C13
7,3',4'-TRIHYDROXYFLAVONE
CAS:2150-11-0
Formula: C15H10O5
29880
O=C1C=C(C2=CC=C(O)C(O)=C2)OC3=C1C=CC(O)=C3
7,4'-DI-O-METHYLAPIGENIN
CAS:5128-44-9
Formula: C17H14O5
35388
COC1=CC(O)=C2C(OC(C3=CC=C(OC)C=C3)=CC2=O)=C1
7,4'-DIHYDROXYFLAVONE
CAS:2196-14-7
Formula: C15H10O4
35491
O=C1C=C(C2=CC=C(O)C=C2)OC3=CC(O)=CC=C13
7,8,9,10-TETRAHYDROBENZO[A]PYREN-7-OL
CAS:6272-55-5
Formula: C20H16O
16225
OC1CCCC2=C1C=C(C=C3)C4=C2C=CC5=CC=CC3=C45
7,8-DIHYDRO-L-BIOPTERIN
CAS:6779-87-9
Formula: C9H13N5O3
81882
NC(N([H])C1=C2N=C([C@@H](O)[C@@H](O)C)CN1[H])=NC2=O
7,8-DIHYDRONEOPTERIN
CAS:1218-98-0
Formula: C9H13N5O4
27606
O=C1C2=C(NCC([C@H](O)[C@H](O)CO)=N2)NC(N)=N1
7,8-DIHYDROXYFLAVONE
CAS:38183-03-8
Formula: C15H10O4
16946
O=C1C2=C(C(O)=C(O)C=C2)OC(C3=CC=CC=C3)=C1
7-(2,4-DINITROPHENOXY)-4-METHYL-2H-CHROMEN-2-ONE
CAS:314742-00-2
Formula: C16H10N2O7
28472
CC(C(C=C1)=C(O2)C=C1OC3=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C3)=CC2=O
7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID
CAS:50995-74-9
Formula: C14H15NO4
35396
O=C(C1=CC2=CC=C(N(CC)CC)C=C2OC1=O)O
7-(p-Methoxybenzylamino)-4-nitrobenz-2,1,3-oxadiazole
CAS:33984-50-8
Formula: C14H12N4O4
39668
COC(C=C1)=CC=C1CNC(C2=NON=C23)=CC=C3[N+]([O-])=O
7-(ß-Hydroxyethyl)theophylline
CAS:519-37-9
Formula: C9H12N4O3
28372
O=C1N(C)C(C(N(CCO)C=N2)=C2N1C)=O
7-(ß-Hydroxyethyl)theophylline-d6
Formula: C9H6D6N4O3
35133
O=C1N(C([2H])([2H])[2H])C(C(N(CCO)C=N2)=C2N1C([2H])([2H])[2H])=O
7-[1-(1H)-TETRAZOLYLACETAMIDO]DESACETOXYCEPHALOSPORANIC ACID
CAS:56842-77-4
Formula: C11H12N6O4S
36228
[H][C@]12SCC(C)=C(C(O)=O)N1C([C@H]2NC(CN3N=NN=C3)=O)=O
7-ACETOXY-4-METHYLCOUMARIN
CAS:2747-05-9
Formula: C12H10O4
38909
O=C1OC2=C(C(C)=C1)C=CC(OC(C)=O)=C2
7-AMINO-4-METHYLCOUMARIN
CAS:26093-31-2
Formula: C10H9NO2
27792
O=C(C=C1C)OC2=C1C=CC(N)=C2
7-AMINOCEPHALOSPORANIC ACID
CAS:957-68-6
Formula: C10H12N2O5S
35824
CC(OCC1=C(C(O)=O)N(C([C@H]2N)=O)[C@]2([H])SC1)=O
7-APB (HYDROCHLORIDE)
CAS:286834-86-4
Formula: C11H13NO • HCl
14282
CC(N)CC1=CC=CC2=C1OC=C2.Cl
7-APDB (HYDROCHLORIDE)
Formula: C11H15NO • HCl
9.00189e+006
CC(N)CC1=C(OCC2)C2=CC=C1.Cl
7-AZIDO-4-METHYLCOUMARIN
CAS:95633-27-5
Formula: C10H7N3O2
28307
O=C(C=C1C)OC2=C1C=CC(N=[N+]=[N-])=C2
7-BENZYLOXY-4-(TRIFLUOROMETHYL)COUMARIN
CAS:220001-53-6
Formula: C17H11F3O3
35721
O=C1OC2=C(C(C(F)(F)F)=C1)C=CC(OCC3=CC=CC=C3)=C2
7-BIOPTERIN
CAS:2636-52-4
Formula: C9H11N5O3
29819
O=C1N=C(N)N=C2NC([C@@H](O)[C@@H](O)C)=CN=C21
7-BROMOHEPTANOIC ACID
CAS:30515-28-7
Formula: C7H13BrO2
30420
BrCCCCCCC(O)=O
7-BROMOISOQUINOLINE
CAS:58794-09-5
Formula: C9H6BrN
1.00071e+007
Brc1ccc2ccncc2c1
7-BROMOTETRALONE
CAS:32281-97-3
Formula: C10H9BrO
1.00071e+007
Brc1ccc2CCCC(=O)c2c1
7-CHLOROKYNURENIC ACID
CAS:18000-24-3
Formula: C10H6ClNO3
33408
O=C(C1=CC(O)=C2C=CC(Cl)=CC2=N1)O
7-CHLOROTHIENO[2,3-C]PYRIDINE
CAS:28948-58-5
Formula: C7H4ClNS
1.00071e+007
Clc1nccc2ccsc12
7-Deaza-2' deoxyadenosine-5'-O-diphosphate (sodium salt)
Formula: C11H13N4O9P2 • 3Na
38452
O[C@@H](C1)[C@H](O[C@H]1N2C=CC3=C(N)N=CN=C32)COP(OP([O-])([O-])=O)([O-])=O.[Na+].[Na+].[Na+]
7-Deaza-2'-deoxyadenosine-5'-O-triphosphate (sodium salt)
Formula: C11H13N4O12P3 • 4Na
38561
O[C@@H](C1)[C@H](O[C@H]1N2C=CC3=C(N)N=CN=C32)COP(OP([O-])(OP([O-])([O-])=O)=O)([O-])=O.[Na+].[Na+].[Na+].[Na+]
7-DEAZA-7-IODO-2'-DEOXYGUANOSINE
CAS:172163-62-1
Formula: C11H13IN4O4
40643
O[C@@H]1[C@@H](CO)O[C@@H](N2C=C(I)C3=C2NC(N)=NC3=O)C1
7-deaza-8-bromo NAD+ (sodium salt)
Formula: C22H26BrN6O14P2 • Na
38479
O[C@H]([C@@H]([C@H](O1)COP([O-])(OP([O-])(OC[C@H]([C@H]([C@H]2O)O)O[C@H]2[N+]3=CC(C(N)=O)=CC=C3)=O)=O)O)[C@@H]1N4C5=NC=NC(N)=C5C=C4Br.[Na+]
7-Deazaadenosine-5'-O-diphosphate (sodium salt)
Formula: C11H13N4O10P2 • 3Na
38451
O[C@@H]1[C@@H](COP(OP([O-])([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3C=C2)[C@@H]1O.[Na+].[Na+].[Na+]
7-Deazaadenosine-5'-O-triphosphate (sodium salt)
Formula: C11H13N4O13P3 • 4Na
38377
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3C=C2)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
7-DECHLORO GRISEOFULVIN
CAS:3680-32-8
Formula: C17H18O6
33116
O=C1[C@@]2([C@H](C)CC(C=C2OC)=O)OC3=CC(OC)=CC(OC)=C31
7-DEHYDRO CHOLESTEROL
CAS:434-16-2
Formula: C27H44O
14612
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
7-DEHYDRO CHOLESTEROL-D7
CAS:388622-58-0
Formula: C27H37D7O
25969
O[C@H](C1)CC[C@@]2(C)C1=CC=C3[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C
7-DEMETHYLSUBEROSIN
CAS:21422-04-8
Formula: C14H14O3
35282
O=C1OC2=CC(O)=C(C/C=C(C)\C)C=C2C=C1
7-DIETHYLAMINO-3-(4-MALEIMIDOPHENYL)-4-METHYLCOUMARIN
CAS:76877-33-3
Formula: C24H22N2O4
18209
CCN(CC)C1=CC=C(C(C)=C(C2=CC=C(N3C(C=CC3=O)=O)C=C2)C(O4)=O)C4=C1
7-ETHOXY-4-(TRIFLUOROMETHYL)COUMARIN
CAS:115453-82-2
Formula: C12H9F3O3
34610
O=C1OC2=C(C(C(F)(F)F)=C1)C=CC(OCC)=C2
7-ETHOXY-4-METHYLCOUMARIN
CAS:87-05-8
Formula: C12H12O3
19586
O=C1C=C(C)C2=CC=C(OCC)C=C2O1
7-ETHOXYCOUMARIN
CAS:31005-02-4
Formula: C11H10O3
31215
O=C1C=CC2=CC=C(OCC)C=C2O1
7-ETHOXYRESORUFIN
CAS:5725-91-7
Formula: C14H11NO3
16122
O=C1C=CC2=NC(C=CC(OCC)=C3)=C3OC2=C1
7-FLUORO TRYPTAMINE (HYDROCHLORIDE)
CAS:159730-09-3
Formula: C10H11FN2 • HCl
17323
NCCC1=CNC2=C(F)C=CC=C21.Cl
7-FLUORO-2,1,3-BENZOXADIAZOLE-4-SULFONATE (AMMONIUM SALT)
CAS:84806-27-9
Formula: C6H2FN2O4S • NH4
34564
O=S([O-])(C1=CC=C(C2=NON=C21)F)=O.[NH4+]
7-HYDROXY COUMARIN GLUCURONIDE (SODIUM SALT)
CAS:168286-98-4
Formula: C15H13O9 • Na
19882
O=C1C=CC2=CC=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C([O-])=O)O3)C=C2O1.[Na+]
7-HYDROXY COUMARIN SULFATE (POTASSIUM SALT)
CAS:1135316-80-1
Formula: C9H5O6S • K
20892
O=C1C=CC2=CC=C(OS([O-])(=O)=O)C=C2O1.[K+]
7-hydroxy DMT (hemifumarate)
Formula: C12H16N2O • 1/2C4H4O4
38983
CN(C)CCC1=CNC2=C(O)C=CC=C12.OC(/C=C/C(O)=O)=O
7-HYDROXY DPAT (HYDROBROMIDE)
CAS:76135-30-3
Formula: C16H25NO • HBr
29516
CCCN(CCC)C1CCC2=CC=C(O)C=C2C1.Br
7-HYDROXY ETODOLAC
CAS:101901-07-9
Formula: C17H21NO4
34071
O=C(CC1(CC)OCCC2=C1NC3=C2C=CC(O)=C3CC)O
7-HYDROXY METHOTREXATE
CAS:5939-37-7
Formula: C20H22N8O6
33239
NC1=C2C(NC(C(CN(C3=CC=C(C=C3)C(N[C@H](C(O)=O)CCC(O)=O)=O)C)=N2)=O)=NC(N)=N1
7-HYDROXY METHOTREXATE (SODIUM SALT)
Formula: C20H19N8O6 • 3Na
21788
[O-]C(C(CN(C1=CC=C(C(N[C@@H](CCC([O-])=O)C([O-])=O)=O)C=C1)C)=N2)=NC3=C2C(N)=NC(N)=N3.[Na+].[Na+].[Na+]
7-HYDROXY MITRAGYNINE
CAS:174418-82-7
Formula: C23H30N2O5
13114
O=C(OC)/C([C@H]1C[C@@]2([H])C3=NC4=CC=CC(OC)=C4[C@@]3(O)CCN2C[C@H]1CC)=C/OC
7-HYDROXY PESTALOTIN
CAS:41164-59-4
Formula: C11H18O5
26523
O=C1O[C@@]([C@@H](O)[C@H](O)CCC)([H])CC(OC)=C1
7-HYDROXY WARFARIN
CAS:17834-03-6
Formula: C19H16O5
9.00067e+006
O=C1OC2=CC(O)=CC=C2C(O)=C1C(C3=CC=CC=C3)CC(C)=O
7-HYDROXY-4-METHYL-8-NITROCOUMARIN
CAS:19037-69-5
Formula: C10H7NO5
30900
O=C1C=C(C)C(C=CC(O)=C2[N+]([O-])=O)=C2O1
7-HYDROXYFLAVONE
CAS:6665-86-7
Formula: C15H10O3
36071
O=C1C=C(C2=CC=CC=C2)OC3=CC(O)=CC=C13
7-KETO CHOLESTEROL
CAS:566-28-9
Formula: C27H44O2
16339
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C(C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
7-KETO CHOLESTEROL-D7
CAS:127684-08-6
Formula: C27H37D7O2
25972
O[C@H](C1)CC[C@@]2(C)C1=CC([C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C)=O
7-KETO DEHYDROEPIANDROSTERONE
CAS:566-19-8
Formula: C19H26O3
22497
O[C@H](C1)CC[C@@]2(C)C1=CC([C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)=O
7-keto Dehydroepiandrosterone Acetate
CAS:1449-61-2
Formula: C21H28O4
39489
C[C@@]12[C@]3([H])[C@](C(C=C1C[C@H](CC2)OC(C)=O)=O)([H])[C@@]4([H])[C@](CC3)(C(CC4)=O)C
7-keto Deoxycholic Acid
CAS:911-40-0
Formula: C24H38O5
35264
O[C@@H]1CC[C@@]2(C)[C@@](CC([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)=O)([H])C1
7-KETO LITHOCHOLIC ACID
CAS:4651-67-6
Formula: C24H38O4
29546
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
7-KETO-25-HYDROXY CHOLESTEROL
CAS:64907-23-9
Formula: C27H44O3
25973
O[C@H](C1)CC[C@@]2(C)C1=CC([C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C)(O)C)C)=O
7-Ketositosterol
CAS:2034-74-4
Formula: C29H48O2
37189
C[C@@]12[C@](CC[C@]2([H])[C@@H](CC[C@@H](CC)C(C)C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)O)=CC3=O)C
7-METHOXY APIGENINIDIN (CHLORIDE)
CAS:161773-51-9
Formula: C16H13O4 • Cl
19757
OC1=C(C=CC(C2=CC=C(O)C=C2)=[O+]3)C3=CC(OC)=C1.[Cl-]
7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
CAS:575-04-2
Formula: C11H7F3O3
34398
O=C1OC2=C(C(C(F)(F)F)=C1)C=CC(OC)=C2
7-METHOXY-8-(3-MORPHOLIN-4-YLPROPOXY)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-AMINE
CAS:1032570-74-3
Formula: C18H25N5O3
30944
NC1=NC2=C(OC)C(OCCCN3CCOCC3)=CC=C2C4=NCCN41
7-METHOXY-9-METHYLFURO[2,3-B]-QUINOLINE-4,5,8(9H)-TRIONE
CAS:859304-28-2
Formula: C13H9NO5
31637
O=C1C=C(C(C2=C1C(C3=C(N2C)OC=C3)=O)=O)OC
7-METHOXYCOUMARIN
CAS:531-59-9
Formula: C10H8O3
30857
COC1=CC=C(C=CC(O2)=O)C2=C1
7-METHOXYFLAVONE
CAS:22395-22-8
Formula: C16H12O3
33497
O=C1C=C(C2=CC=CC=C2)OC3=CC(OC)=CC=C13
7-METHOXYISOFLAVONE
CAS:1621-56-3
Formula: C16H12O3
33419
COC1=CC=C2C(OC=C(C3=CC=CC=C3)C2=O)=C1
7-METHYL-6-MERCAPTOPURINE
CAS:3324-79-6
Formula: C6H6N4S
39655
S=C1N=CNC2=C1N(C)C=N2
7-METHYL-6-THIOGUANOSINE (TECHNICAL GRADE)
CAS:55727-10-1
Formula: C11H15N5O4S
16381
O[C@H]1[C@@H](O)[C@H](N2C=[N+](C)C3=C2N=C([NH-])NC3=S)O[C@@H]1CO
7-METHYLGUANINE
CAS:578-76-7
Formula: C6H7N5O
18161
O=C1C2=C(N=CN2C)NC(N)=N1
7-METHYLGUANOSINE
CAS:20244-86-4
Formula: C11H15N5O5
15988
O=C1C2=C(N([C@H]3[C@H](O)[C@H](O)[C@@H](C[O-])O3)C=[N+]2C)N=C(N)N1
7-METHYLGUANOSINE-D3
Formula: C11H12D3N5O5
36336
NC1=NC([O-])=C2[N+](C([2H])([2H])[2H])=CN([C@@]3([H])[C@H](O)[C@H](O)[C@@H](CO)O3)C2=N1
7-METHYLURIC ACID
CAS:612-37-3
Formula: C6H6N4O3
21067
O=C(C(N(C)C(N1)=O)=C1N2)NC2=O
7-METHYLXANTHINE
CAS:552-62-5
Formula: C6H6N4O2
34348
O=C1NC(C2=C(N1)N=CN2C)=O
7-OXO STAUROSPORINE
CAS:125035-83-8
Formula: C28H24N4O4
23346
[H][C@]12N(C3=C(N([C@](O2)(C)[C@H](OC)[C@H](NC)C1)C4=C5C=CC=C4)C5=C(C(NC6=O)=O)C6=C37)C8=C7C=CC=C8
7-PIPERAZIN-1-YL-THIENO[2,3-C] PYRIDINE (HYDROCHLORIDE)
CAS:850734-85-9
Formula: C11H13N3S • HCl
1.00071e+007
C1(C=CS2)=C2C(N3CCNCC3)=NC=C1.Cl
7-PPD-Q
CAS:2894124-00-4
Formula: C19H24N2O2
40610
CC(CCC(C)C)NC(C(C=C1NC2=CC=CC=C2)=O)=CC1=O
7-XYLOSYLTAXOL
CAS:90332-66-4
Formula: C52H59NO18
32956
C[C@]1(C([C@@H](C2=C(C)[C@@H](OC([C@H](O)[C@H](C3=CC=CC=C3)NC(C4=CC=CC=C4)=O)=O)C[C@]5(O)C2(C)C)OC(C)=O)=O)[C@@]([C@@H]5OC(C6=CC=CC=C6)=O)([H])[C@@]([C@@]7([H])C[C@@H]1O[C@@](OC[C@H]8O)([H])[C@@H]([C@H]8O)O)(CO7)OC(C)=O
740 Y-P (trifluoroacetate salt)
Formula: C141H222N43O39PS3 • XCF3COOH
22598
[H]N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@]([C@H](CC)C)([H])C(N[C@@H](CCCCN)C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CCCCN)C(N
77PD-Q
Formula: C20H34N2O2
40927
CC(CCC(C)C)NC(C(C=C1NC(C)CCC(C)C)=O)=CC1=O
7A,25-DIHYDROXY CHOLESTEROL
CAS:64907-22-8
Formula: C27H46O3
11032
O[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@]3([H])[C@]1([H])[C@@](CC[C@]4([H])[C@H](C)CCCC(C)(C)O)([H])[C@]4(C)CC3
7A-HYDROXY CHOLESTEROL
CAS:566-26-7
Formula: C27H46O2
20098
O[C@H](C1)CC[C@@]2(C)C1=C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C
7A-HYDROXY CHOLESTEROL-D7
CAS:349553-94-2
Formula: C27H39D7O2
25547
O[C@H](C1)CC[C@@]2(C)C1=C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H]
7A-HYDROXY DEHYDROEPIANDROSTERONE
CAS:53-00-9
Formula: C19H28O3
34268
C[C@@]12[C@]3([H])[C@]([C@@H](C=C1C[C@H](CC2)O)O)([H])[C@@]4([H])[C@](CC3)(C(CC4)=O)C
7a-hydroxy-3-oxo-5ß-Cholan-24-oic Acid
CAS:4185-00-6
Formula: C24H38O4
38159
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O
7a-Hydroxy-3-oxocholest-4-enoic acid-d3
CAS:2342573-89-9
Formula: C27H39D3O4
29537
O=C1CC[C@@]2(C)C(C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C([2H])([2H])[2H])C(O)=O)C)=C1
7A-HYDROXY-4-CHOLESTEN-3-ONE
CAS:3862-25-7
Formula: C27H44O2
25442
O=C1CC[C@@]2(C)C(C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)=C1
7a-Hydroxy-4-cholesten-3-one-d7
CAS:2260669-17-6
Formula: C27H37D7O2
26100
O=C1CC[C@@]2(C)C(C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=C1
7A-THIOMETHYLSPIRONOLACTONE
CAS:38753-77-4
Formula: C23H32O3S
34526
C[C@@]12[C@@]3(OC(CC3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4SC)=CC(CC5)=O)C)([H])CC2
7A-THIOSPIRONOLACTONE
CAS:38753-76-3
Formula: C22H30O3S
34868
C[C@@]12[C@@]3(OC(CC3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4S)=CC(CC5)=O)C)([H])CC2
7ACC2
CAS:1472624-85-3
Formula: C18H15NO4
23445
CN(C1=CC=C(C=C(C(O)=O)C(O2)=O)C2=C1)CC3=CC=CC=C3
7BIO
CAS:916440-85-2
Formula: C16H10BrN3O2
19619
O/N=C(C1=CC=CC=C1N2)/C2=C3C(NC4=C(Br)C=CC=C4/3)=O
7ß,27-dihydroxy Cholesterol
CAS:240129-43-5
Formula: C27H46O3
20102
O[C@H](C1)CC[C@@]2(C)C1=C[C@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC[C@@H](C)CO
7ß-Hydroxy Cholesterol
CAS:566-27-8
Formula: C27H46O2
20099
O[C@H](C1)CC[C@@]2(C)C1=C[C@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C
7ß-Hydroxy Cholesterol-d7
CAS:349553-97-5
Formula: C27H39D7O2
25548
O[C@H](C1)CC[C@@]2(C)C1=C[C@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H]
8(4'-BROMOPHENYL)-1,3,5,7-TETRAMETHYL-BODIPY
CAS:850534-66-6
Formula: C19H18BBrF2N2
40123
[F][B-]([N]1C2=C(C)C=C1C)([N+](C(C(C)=C3)=C2C4=CC=C(Br)C=C4)=C3C)[F]
8(E),10(E),12(Z)-OCTADECATRIENOIC ACID
CAS:5204-87-5
Formula: C18H30O2
30885
OC(CCCCCC/C=C/C=C/C=C\CCCCC)=O
8(R),11(S)-DIHODE
CAS:885215-81-6
Formula: C18H32O4
28584
CCCCC/C=C\[C@H](O)/C=C\[C@H](O)CCCCCCC(O)=O
8(R)-HYDROXY-9(R)-HEXAHYDROCANNABINOL
CAS:42793-11-3
Formula: C21H32O3
36250
CC1(C)[C@@]2([H])[C@](C[C@@H](C)[C@H](O)C2)([H])C3=C(C=C(CCCCC)C=C3O)O1
8(R)-hydroxy-9(S)-Hexahydrocannabinol
CAS:36403-92-6
Formula: C21H32O3
36251
CC1(C)[C@@]2([H])[C@](C[C@H](C)[C@H](O)C2)([H])C3=C(C=C(CCCCC)C=C3O)O1
8(S)-Amino-7-Oxononanoic Acid (hydrochloride)
CAS:177408-65-0
Formula: C9H17NO3 • HCl
1.00075e+007
N[C@@H](C)C(CCCCCC(O)=O)=O.Cl
8(S)-HYDROXY-9(S)-HEXAHYDROCANNABINOL
CAS:36403-93-7
Formula: C21H32O3
36249
CC1(C)[C@@]2([H])[C@](C[C@H](C)[C@@H](O)C2)([H])C3=C(C=C(CCCCC)C=C3O)O1
8(Z)-EICOSENOIC ACID
CAS:76261-96-6
Formula: C20H38O2
22579
CCCCCCCCCCC/C=C\CCCCCCC(O)=O
8,11,14-EICOSATRIYNOIC ACID
CAS:34262-64-1
Formula: C20H28O2
1.00079e+007
CCCCCC#CCC#CCC#CCCCCCCC(O)=O
8,9-DIHYDROCANNABIDIOL
CAS:877660-90-7
Formula: C21H32O2
36349
OC(C=C(C=C1O)CCCCC)=C1[C@H]2[C@H](C(C)C)CCC(C)=C2
8-(2-Aminoethylthio)guanosine-5'-O-triphosphate (sodium salt)
Formula: C12H17N6O14P3S • 4Na
38800
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(N=C(N)NC3=O)=C3N=C2SCCN)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
8-(2-azidobenzylthio) NAD+ (sodium salt)
Formula: C28H31N10O14P2S • Na
38832
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCC5=CC=CC=C5N=[N+]=[N-])=NC6=C(N)N=CN=C64.[Na+]
8-(3-CHLOROSTYRYL)CAFFEINE
CAS:147700-11-6
Formula: C16H15ClN4O2
29704
O=C(N(C)C1=C2N(C)C(/C=C/C3=CC=CC(Cl)=C3)=N1)N(C)C2=O
8-(4-azidophenacylthio) NAD+ (sodium salt)
Formula: C29H31N10O15P2S • Na
38833
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCC(C5=CC=C(N=[N+]=[N-])C=C5)=O)=NC6=C(N)N=CN=C64.[Na+]
8-(6-Aminohexylthio)guanosine-5'-O-triphosphate (sodium salt)
Formula: C16H25N6O14P3S • 4Na
38811
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(N=C(N)NC3=O)=C3N=C2SCCCCCCN)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
8-Aminoadenosine-5'-O-diphosphate (sodium salt)
Formula: C10H13N6O10P2 • 3Na
38538
O[C@@H]1[C@@H](COP(OP([O-])([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2N)[C@@H]1O.[Na+].[Na+].[Na+]
8-Aminoadenosine-5'-O-triphosphate (sodium salt)
CAS:35892-97-8
Formula: C10H13N6O13P3 • 4Na
38539
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2N)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
8-AMINOCLONAZOLAM
CAS:71368-66-6
Formula: C17H14ClN5
27247
NC1=CC(C(C2=CC=CC=C2Cl)=NC3)=C(C=C1)N4C3=NN=C4C
8-AMINOCLONAZOLAM-D4
CAS:2972112-75-5
Formula: C17H10D4ClN5
34910
NC1=CC(C(C2=C([2H])C([2H])=C([2H])C([2H])=C2Cl)=NC3)=C(C=C1)N4C3=NN=C4C
8-AMINOPYRENE-1,3,6-TRISULFONIC ACID (SODIUM SALT)
CAS:196504-57-1
Formula: C16H8NO9S3 • 3Na
23098
NC1=CC(S([O-])(=O)=O)=C(C=C2)C3=C(C2=C(S([O-])(=O)=O)C=C4S([O-])(=O)=O)C4=CC=C31.[Na+].[Na+].[Na+]
8-AZAADENOSINE
CAS:10299-44-2
Formula: C9H12N6O4
34622
O[C@H]1[C@](O[C@@H]([C@H]1O)CO)([H])N2C3=NC=NC(N)=C3N=N2
8-Azidoadenosine-5'-O-diphosphate (sodium salt)
Formula: C10H11N8O10P2 • 3Na
38550
[O-]P(OP([O-])([O-])=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C3=NC=NC(N)=C3N=C2N=[N+]=[N-])=O.[Na+].[Na+].[Na+]
8-Azidoadenosine-5'-O-triphosphate (sodium salt)
Formula: C10H11N8O13P3 • 4Na
38548
[O-]P([O-])(OP([O-])(OP([O-])(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C3=NC=NC(N)=C3N=C2N=[N+]=[N-])=O)=O)=O.[Na+].[Na+].[Na+].[Na+]
8-bromo Cyclic ADP-Ribose (sodium salt)
Formula: C15H18BrN5O13P2 • 2Na
18442
BrC1=NC2=C(N1[C@]3([H])O[C@@]4([H])[C@@H](O)[C@H]3O)N=CN([C@@]5([H])[C@H](O)[C@H](O)[C@](COP(OP(OC4)([O-])=O)([O-])=O)([H])O5)C2=N.[Na+].[Na+]
8-bromo Cyclic AMP
CAS:23583-48-4
Formula: C10H11BrN5O6P
18141
OP1(OC[C@]2([H])[C@@]([C@@H](O)[C@H](N3C(N=CN=C4N)=C4N=C3Br)O2)([H])O1)=O
8-bromo Cyclic AMP (sodium salt)
CAS:76939-46-3
Formula: C10H10BrN5O6P • Na
14431
O[C@H]1[C@H](N2C(Br)=NC3=C2N=CN=C3N)O[C@H]4[C@H]1OP(OC4)([O-])=O.[Na+]
8-bromo Cyclic GMP (sodium salt)
CAS:51116-01-9
Formula: C10H11BrN5O7P • Na
15992
O[C@H]1[C@H](N2C(Br)=NC3=C2NC(N)=NC3=O)O[C@H]4[C@H]1OP(OC4)(O)=O.[Na]
8-bromo NAD+ (sodium salt)
CAS:2022926-16-3
Formula: C21H25BrN7O14P2 • Na
38475
O[C@H]([C@@H]([C@H](O1)COP([O-])(OP([O-])(OC[C@H]([C@H]([C@H]2O)O)O[C@H]2[N+]3=CC(C(N)=O)=CC=C3)=O)=O)O)[C@@H]1N4C5=NC=NC(N)=C5N=C4Br.[Na+]
8-bromo TNP-GTP (sodium salt)
Formula: C16H12BrN8O20P3 • 4Na
38817
O=P(OP([O-])([O-])=O)([O-])OP(OC[C@H]1O[C@@H](N2C(Br)=NC3=C2NC(N)=NC3=O)[C@@]4([H])[C@]1([H])OC5(C([N+]([O-])=O)=CC([N+]([O-])=O)C=C5[N+]([O-])=O)O4)([O-])=O.[Na+].[Na+].[Na+].[Na+]
8-bromo TNP-ITP (sodium salt)
Formula: C16H11BrN7O20P3 • 4Na
38818
O=P(OP([O-])([O-])=O)([O-])OP(OC[C@H]1O[C@@H](N2C(Br)=NC3=C2NC=NC3=O)[C@@]4([H])[C@]1([H])OC5(C([N+]([O-])=O)=CC([N+]([O-])=O)C=C5[N+]([O-])=O)O4)([O-])=O.[Na+].[Na+].[Na+].[Na+]
8-Bromo-2'-deoxyadenosine-5'-O-triphosphate (sodium salt)
CAS:1188369-62-1
Formula: C10H11BrN5O12P3 • 4Na
38661
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2Br)C1.[Na+].[Na+].[Na+].[Na+]
8-Bromo-2'-deoxyguanosine-5'-O-triphosphate (sodium salt)
Formula: C10H11BrN5O13P3 • 4Na
38549
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(Br)=NC3=C2NC(N)=NC3=O)C1.[Na+].[Na+].[Na+].[Na+]
8-BROMOADENOSINE 5'-TRIPHOSPHATE (SODIUM SALT HYDRATE)
Formula: C10H15BrN5O13P3 • XNa [XH2O]
30573
O=P(OP(OP(O)(O)=O)(O)=O)(O)OC[C@H]1O[C@](N2C3=NC=NC(N)=C3N=C2Br)([H])[C@H](O)[C@@H]1O.[Na].O
8-BROMOGUANOSINE
CAS:4016-63-1
Formula: C10H12BrN5O5
18152
O=C1C2=C(N([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)C(Br)=N2)N=C(N)N1
8-Bromoguanosine-5'-O-triphosphate (sodium salt)
Formula: C10H11BrN5O14P3 • 4Na
38551
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OP([O-])([O-])=O)([O-])=O)=O)O[C@H]1N2C(Br)=NC3=C2NC(N)=NC3=O.[Na+].[Na+].[Na+].[Na+]
8-Bromoinosine-5'-O-triphosphate (sodium salt)
Formula: C10H10BrN4O14P3 • 4Na
38662
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C(NC=NC3=O)=C3N=C2Br)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
8-BROMOISOQUINOLINE
CAS:63927-22-0
Formula: C9H6BrN
1.00071e+007
Brc1cccc2ccncc12
8-Bu(3-yne)T-NAD+ (sodium salt)
CAS:2022926-15-2
Formula: C25H30N7O14P2S • Na
38477
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCCC#C)=NC5=C(N)N=CN=C54.[Na+]
8-butylthio NAD+ (sodium salt)
CAS:2022926-17-4
Formula: C25H34N7O14P2S • Na
38476
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCCCC)=NC5=C(N)N=CN=C54.[Na+]
8-CHLORO CAFFEINE
CAS:4921-49-7
Formula: C8H9ClN4O2
35817
O=C1C2=C(N(C)C(N1C)=O)N=C(N2C)Cl
8-CHLOROADENOSINE
CAS:34408-14-5
Formula: C10H12ClN5O4
35766
ClC(N([C@]1([H])O[C@@H]([C@H]([C@H]1O)O)CO)C2=NC=N3)=NC2=C3N
8-Chloroadenosine-5'-triphosphate (sodium salt)
CAS:793671-47-3
Formula: C10H11ClN5O13P3 • 4Na
38448
O[C@@H]1[C@@H](COP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2Cl)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]
8-cPeT NAD+ (sodium salt)
Formula: C26H34N7O14P2S • Na
38480
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SC5CCCC5)=NC6=C(N)N=CN=C64.[Na+]
8-CPT-CYCLIC AMP (SODIUM SALT)
CAS:93882-12-3
Formula: C16H14ClN5O6PS • Na
12011
O[C@H]1[C@H](N2C(SC3=CC=C(Cl)C=C3)=NC4=C2N=CN=C4N)O[C@H]5[C@H]1OP(OC5)([O-])=O.[Na+]
8-CYCLOPENTYL-1,3-DIMETHYLXANTHINE
CAS:35873-49-5
Formula: C12H16N4O2
29870
CN1C(N(C)C(N=C(C2CCCC2)N3)=C3C1=O)=O
8-DEHYDRO CHOLESTEROL
CAS:70741-38-7
Formula: C27H44O
25970
O[C@H](C1)CC[C@@]2(C)C1=CCC3=C2CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C)C)C
8-DESOXYGARTANIN
CAS:33390-41-9
Formula: C23H24O5
40275
O=C1C2=C(OC3=C1C(O)=C(C/C=C(C)\C)C(O)=C3C/C=C(C)\C)C(O)=CC=C2
8-dimethylamino NAD+ (sodium salt)
Formula: C23H31N8O14P2 • Na
38482
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(N(C)C)=NC5=C(N)N=CN=C54.[Na+]
8-ethylthio NAD+ (sodium salt)
Formula: C23H30N7O14P2S • Na
38483
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCC)=NC5=C(N)N=CN=C54.[Na+]
8-GERANYLOXYPSORALEN
CAS:7437-55-0
Formula: C21H22O4
35167
C/C(C)=C/CC/C(C)=C/COC1=C(OC=C2)C2=CC(C=C3)=C1OC3=O
8-GINGEROL
CAS:23513-08-8
Formula: C19H30O4
11841
OC1=CC=C(CCC(C[C@@H](O)CCCCCCC)=O)C=C1OC
8-HYDROXY AMOXAPINE
CAS:61443-78-5
Formula: C17H16ClN3O2
29192
ClC1=CC2=C(C=C1)OC3=C(C=C(O)C=C3)N=C2N4CCNCC4
8-HYDROXY DPAT (HYDROBROMIDE)
CAS:76135-31-4
Formula: C16H25NO • HBr
22608
OC1=C2C(CCC(N(CCC)CCC)C2)=CC=C1.Br
8-HYDROXY EFAVIRENZ
CAS:205754-33-2
Formula: C14H9ClF3NO3
27853
ClC1=CC(O)=C2C([C@@](C#CC3CC3)(C(F)(F)F)OC(N2)=O)=C1
8-HYDROXY LOXAPINE
CAS:61443-77-4
Formula: C18H18ClN3O2
21786
ClC1=CC2=C(C=C1)OC3=C(C=C(O)C=C3)N=C2N4CCN(C)CC4
8-HYDROXY MIRTAZAPINE
CAS:102335-57-9
Formula: C17H19N3O
35443
OC1=CN=C2C(CC3=CC=CC=C3C4N2CCN(C4)C)=C1
8-HYDROXY-2'-DEOXYGUANOSINE
CAS:88847-89-6
Formula: C10H13N5O5
89320
NC(N1[H])=NC(N([C@H]2C[C@H](O)[C@@H](CO)O2)C(N3)=O)=C3C1=O
8-HYDROXYGUANINE (HYDROCHLORIDE)
CAS:1246818-54-1
Formula: C5H5N5O2 • HCl
89290
OC1=NC2=C(O)N=C(N)N=C2N1.Cl
8-HYDROXYGUANOSINE
CAS:3868-31-3
Formula: C10H13N5O6
89300
NC(N1[H])=NC(N([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)C(O)=N3)=C3C1=O
8-HYDROXYPYRENE-1,3,6-TRISULFONIC ACID (SODIUM SALT)
CAS:6358-69-6
Formula: C16H7O10S3 • 3Na
30080
[O-]S(C1=CC(S([O-])(=O)=O)=C2C3=C4C(C=C2)=C(S([O-])(=O)=O)C=C(O)C4=CC=C31)(=O)=O.[Na+].[Na+].[Na+]
8-ISO PROSTAGLANDIN E1
CAS:21003-46-3
Formula: C20H34O5
13360
O=C1[C@@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
8-ISO PROSTAGLANDIN E2
CAS:27415-25-4
Formula: C20H32O5
14350
O[C@H]1[C@H](/C=C/[C@@H](O)CCCCC)[C@H](C/C=C\CCCC(O)=O)C(C1)=O
8-ISO PROSTAGLANDIN F1A
CAS:26771-96-0
Formula: C20H36O5
15350
O[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
8-iso Prostaglandin F1ß
CAS:26771-95-9
Formula: C20H36O5
15370
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@H]1CCCCCCC(O)=O
8-ISO PROSTAGLANDIN F2A
CAS:27415-26-5
Formula: C20H34O5
16350
O[C@@H]1[C@@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
8-ISO-16-CYCLOHEXYL-TETRANOR PROSTAGLANDIN E2
CAS:53319-30-5
Formula: C22H34O5
1.00093e+007
OC(=O)CCC/C=C\C[C@@H]1C(=O)CC(O)[C@@H]1\C=C\C(O)CC1CCCCC1
8-ISOQUINOLINE METHANAMINE (HYDROCHLORIDE)
CAS:850734-84-8
Formula: C10H10N2 • 2HCl
1.00071e+007
NCC1=C2C=NC=CC2=CC=C1.Cl.Cl
8-M-PDOT
CAS:134865-70-6
Formula: C14H19NO2
29521
COC1=CC=CC2=C1CC(NC(CC)=O)CC2
8-METHOXYMETHYL-3-ISOBUTYL-1-METHYLXANTHINE
CAS:78033-08-6
Formula: C12H18N4O3
39151
O=C1C2=C(N(CC(C)C)C(N1C)=O)N=C(COC)N2
8-METHYL NONANOIC ACID
CAS:5963-14-4
Formula: C10H20O2
9.00031e+006
CC(C)CCCCCCC(=O)O
8-methylamino NAD+ (sodium salt)
Formula: C22H29N8O14P2 • Na
38484
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@H]2O[C@@H]([N+]3=CC(C(N)=O)=CC=C3)[C@H](O)[C@@H]2O)([O-])=O)=O)O[C@H]1N4C(NC)=NC5=C(N)N=CN=C54.[Na+]
8-NITROGUANINE
CAS:168701-80-2
Formula: C5H4N6O3
89295
O=C1C2=C(N=C([N+]([O-])=O)N2)N=C(N)N1
8-NITROTRYPTANTHRIN
CAS:77603-42-0
Formula: C15H7N3O4
28429
O=C1C2=CC=CC=C2N=C3N1C(C=CC([N+]([O-])=O)=C4)=C4C3=O
8-OXYCOPTISINE
CAS:19716-61-1
Formula: C19H13NO5
34472
O=C1C2=C(C=C3C4=CC5=C(C=C4CCN13)OCO5)C=CC6=C2OCO6
8-pCPT NAD+ (sodium salt)
Formula: C27H29ClN7O14P2S • Na
38478
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SC5=CC=C(Cl)C=C5)=NC6=C(N)N=CN=C64.[Na+]
8-pCPT-2'-O-methyl Cyclic AMP
CAS:634207-53-7
Formula: C17H16N5O6ClPS • Na
17143
O=P1([O-])O[C@H]2[C@@H](OC)[C@H](N3C(SC4=CC=C(Cl)C=C4)=NC5=C3N=CN=C5N)O[C@@H]2CO1.[Na+]
8-phenylthio NAD+ (sodium salt)
Formula: C27H30N7O14P2S • Na
38486
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SC5=CC=CC=C5)=NC6=C(N)N=CN=C64.[Na+]
8-PIPERAZIN-1-YL-ISOQUINOLINE (HYDROCHLORIDE)
CAS:936643-79-7
Formula: C13H15N3 • HCl
1.00071e+007
C12=C(N3CCNCC3)C=CC=C1C=CN=C2.Cl
8-piperidino NAD+ (sodium salt)
Formula: C26H35N8O14P2 • Na
38487
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(N5CCCCC5)=NC6=C(N)N=CN=C64.[Na+]
8-PRENYLNARINGENIN
CAS:68682-02-0
Formula: C20H20O5
17462
O=C1CC(C2=CC=C(O)C=C2)OC3=C(C/C=C(C)/C)C(O)=CC(O)=C31
8-propylthio NAD+ (sodium salt)
CAS:2022926-18-5
Formula: C24H32N7O14P2S • Na
38488
O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3=CC=CC(C(N)=O)=C3)O2)([O-])=O)=O)O[C@H]1N4C(SCCC)=NC5=C(N)N=CN=C54.[Na+]
8-SHOGAOL
CAS:36700-45-5
Formula: C19H28O3
40273
O=C(CCC1=CC=C(C(OC)=C1)O)C=CCCCCCCC
852A
CAS:532959-63-0
Formula: C17H23N5O2S
39512
NC(C1=C2N(CCCCNS(C)(=O)=O)C(CC)=N1)=NC3=C2C=CC=C3
8a-hydroxy-?9-THC
CAS:27262-32-4
Formula: C21H30O3
37634
CC1=C[C@]2([H])[C@@](C(C)(C)OC3=C2C(O)=CC(CCCCC)=C3)([H])C[C@@H]1O
8a-hydroxy-exo-THC
Formula: C21H30O3
37765
C=C1C[C@]2([H])[C@@](C(C)(C)OC3=C2C(O)=CC(CCCCC)=C3)([H])C[C@@H]1O
8BR-HA
CAS:2937864-01-0
Formula: C15H14BrNO5
34728
O=C(OC1=C2C=CC(OCC(NO)=O)=C1Br)C3=C2CCCC3
8RK64
CAS:2705841-52-5
Formula: C14H16N8O2S
41148
[N-]=[N+]=NCC(N1CC2=C(CC1)N=C(S2)NC([C@@H]3CN(CC3)C#N)=O)=O
8ß-hydroxy-?9-THC
CAS:34984-78-6
Formula: C21H30O3
37635
CC1=C[C@]2([H])[C@@](C(C)(C)OC3=C2C(O)=CC(CCCCC)=C3)([H])C[C@H]1O
8ß-hydroxy-exo-THC
CAS:52522-55-1
Formula: C21H30O3
37766
C=C1C[C@]2([H])[C@@](C(C)(C)OC3=C2C(O)=CC(CCCCC)=C3)([H])C[C@H]1O
9(E),11(E)-CONJUGATED LINOLEIC ACID
CAS:544-71-8
Formula: C18H32O2
90370
CCCCCC\C=C\C=C/CCCCCCCC(=O)O
9(E),11(E)-CONJUGATED LINOLEIC ACID METHYL ESTER
CAS:13038-47-6
Formula: C19H34O2
24580
CCCCCC/C=C/C=C/CCCCCCCC(OC)=O
9(E)-ERYTHROMYCIN A OXIME
CAS:111321-02-9
Formula: C37H68N2O13
27966
O=C(O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]/1C)[C@H](C)[C@](O[C@@]2([H])C[C@](OC)(C)[C@@H](O)[C@H](C)O2)([H])[C@H](C)[C@@H](O[C@@]3([H])[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3)[C@@](O)(C)C[C@@H](C)C1=N/O
9(R)-11-nor-9-carboxy-?6a,10a-THC
Formula: C21H28O4
38237
CC(C)(OC1=C2C(O)=CC(CCCCC)=C1)C3=C2C[C@H](C(O)=O)CC3
9(S),12(S),13(S)-TriHODE
CAS:95341-44-9
Formula: C18H32O5
38950
CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(O)=O
9(Z),11(E),13(Z)-OCTADECATRIENOIC ACID METHYL ESTER
CAS:95497-55-5
Formula: C19H32O2
24807
CCCC/C=C\C=C\C=C/CCCCCCCC(OC)=O
9(Z),11(E)-CONJUGATED LINOLEIC ACID (SODIUM SALT)
CAS:756499-04-4
Formula: C18H31O2 • Na
31552
CCCCCC/C=C/C=C\CCCCCCCC([O-])=O.[Na+]
9(Z),11(E)-CONJUGATED LINOLEIC ACID METHYL ESTER
CAS:13058-52-1
Formula: C19H34O2
24581
CCCCCC/C=C/C=C\CCCCCCCC(OC)=O
9(Z),11(Z)-CONJUGATED LINOLEIC ACID
CAS:544-70-7
Formula: C18H32O2
24582
CCCCCC/C=C\C=C/CCCCCCCC(O)=O
9(Z),11(Z)-CONJUGATED LINOLEIC ACID METHYL ESTER
CAS:822-10-6
Formula: C19H34O2
24583
CCCCCC/C=C\C=C/CCCCCCCC(OC)=O
9(Z)-TRICOSENE
CAS:27519-02-4
Formula: C23H46
13236
CCCCCCCC/C=C\CCCCCCCCCCCCC
9,10-ANTHRACENEDIYL-BIS(METHYLENE)DIMALONIC ACID
CAS:307554-62-7
Formula: C22H18O8
19580
OC(C(C(O)=O)CC1=C2C(C=CC=C2)=C(CC(C(O)=O)C(O)=O)C3=C1C=CC=C3)=O
9,10-DIHYDROXYSTEARIC ACID
CAS:120-87-6
Formula: C18H36O4
28612
OC(CCCCCCCC(O)C(O)CCCCCCCC)=O
9,10-Dimethoxypterocarpan-3-O-ß-D-glucoside
CAS:94367-42-7
Formula: C23H26O10
36192
COC1=C2O[C@]3([H])[C@](COC4=CC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)=CC=C43)([H])C2=CC=C1OC
9,12-OCTADECADIYNOIC ACID
CAS:2012-14-8
Formula: C18H28O2
90400
CCCCCC#CCC#CCCCCCCCC(O)=O
9-(2,2-DICYANOVINYL)JULOLIDINE
CAS:58293-56-4
Formula: C16H15N3
21016
N#C/C(C#N)=C\C1=CC2=C3N(CCC2)CCCC3=C1
9-AMINO CAMPTOTHECIN
CAS:91421-43-1
Formula: C20H17N3O4
17232
O=C([C@@]1(CC)O)OCC2=C1C=C(C(N=C(C=CC=C3N)C3=C4)=C4C5)N5C2=O
9-AMINO-6-CHLORO-2-METHOXYACRIDINE
CAS:3548-09-2
Formula: C14H11ClN2O
22439
ClC1=CC=C2C(N=C(C=CC(OC)=C3)C3=C2N)=C1
9-ANTHRYLDIAZOMETHANE
CAS:10401-59-9
Formula: C15H10N2
26806
[N-]=[N+]=CC1=C(C=CC=C2)C2=CC3=C1C=CC=C3
9-CIS RETINAL
CAS:514-85-2
Formula: C20H28O
21692
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C([H])=O)C(C)(C)CCC1
9-CIS RETINOIC ACID
CAS:5300-03-8
Formula: C20H28O2
14587
CC1(C)C(/C=C/C(C)=C\C=C\C(C)=C\C(O)=O)=C(C)CCC1
9-CIS RETINOL
CAS:22737-97-9
Formula: C20H30O
41345
CC1(C)C(/C=C/C(C)=C\C=C\C(C)=C\CO)=C(C)CCC1
9-DEAZAGUANINE
CAS:65996-58-9
Formula: C6H6N4O
21674
NC(N1)=NC2=C(NC=C2)C1=O
9-DEMETHYL FR-901235
CAS:1029520-85-1
Formula: C17H14O7
33135
O=C1C2=C3C(C(C1(CC(C)=O)O)=O)=C(C=C(C3=C(C=C2O)O)C)O
9-DEOXY-9-METHYLENE-16,16-DIMETHYL PROSTAGLANDIN E2 (POTASSIUM SALT)
CAS:122576-55-0
Formula: C23H37O4 • K
14430
C=C1[C@H](C/C=C\CCCC([O-])=O)[C@@H](/C=C/[C@@H](O)C(C)(C)CCCC)[C@H](O)C1.[K+]
9-ETHYLGUANINE
CAS:879-08-3
Formula: C7H9N5O
18738
O=C1C2=C(N(CC)C=N2)N=C(N)N1
9-HYDROXY STEARIC ACID
CAS:3384-24-5
Formula: C18H36O3
18016
OC(CCCCCCCC(O)CCCCCCCCC)=O
9-HYDROXYELLIPTICINE (HYDROCHLORIDE)
CAS:52238-35-4
Formula: C17H14N2O • HCl
17921
CC1=C2C(NC3=C2C=C(O)C=C3)=C(C)C4=C1C=NC=C4.Cl
9-ING-41
CAS:1034895-42-5
Formula: C22H13FN2O5
36629
O=C1NC(C(C2=CN(C)C3=C2C=C4OCOC4=C3)=C1C5=COC6=C5C=C(F)C=C6)=O
9-keto Latanoprost
CAS:141074-06-8
Formula: C26H38O5
9.00035e+006
O[C@@H](CCC1=CC=CC=C1)CC[C@H]([C@H]2C/C=C\CCCC(OC(C)C)=O)[C@H](O)CC2=O
9-METHOXYELLIPTICINE
CAS:10371-86-5
Formula: C18H16N2O
31631
COC1=CC=C2C(C(C(C)=C3C(C=CN=C3)=C4C)=C4N2)=C1
9-Methyl-ß-carboline
CAS:2521-07-5
Formula: C12H10N2
33583
CN1C2=C(C=CC=C2)C3=C1C=NC=C3
9-O-desmethyl Mitragynine
CAS:425623-55-8
Formula: C22H28N2O4
27540
OC1=C(C2=C([C@@](C[C@H](/C(C(OC)=O)=C\OC)[C@H](CC)C3)([H])N3CC2)N4)C4=CC=C1
9-OXONONANOIC ACID
CAS:2553-17-5
Formula: C9H16O3
29882
O=CCCCCCCCC(O)=O
9-PAHPA
CAS:1636134-70-7
Formula: C32H62O4
17038
OC(CCCCCCCC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCC)=O
9-PHENANTHROL
CAS:484-17-3
Formula: C14H10O
15248
OC1=CC2=C(C3=C1C=CC=C3)C=CC=C2
98N12-5
CAS:917572-74-8
Formula: C81H163N9O5
37651
CCCCCCCCCCCCNC(CCN(CCC(NCCCCCCCCCCCC)=O)CCN(CCNCCN(CCC(NCCCCCCCCCCCC)=O)CCC(NCCCCCCCCCCCC)=O)CCC(NCCCCCCCCCCCC)=O)=O
9A1P9
CAS:2760467-57-8
Formula: C27H58NO4P
37276
O=P(OCCN(CCCCCCCC)CCCCCCCC)(OCCCCCCCCC)O
9C(I472)
CAS:2349374-37-2
Formula: C22H21ClN2O4
28225
ClC1=CC=C2C(NC(C(OCC)=O)=C2/C=C/C(NCC3=CC=CC=C3OC)=O)=C1
9CCN
CAS:596592-83-5
Formula: C36H60O4
40739
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CCCCCCCC(O)=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
A 26771B
CAS:56448-20-5
Formula: C20H30O7
29593
O=C(O[C@H](C)CCCCCCCCC[C@@H]1OC(CCC(O)=O)=O)/C=C/C1=O
A 83-01
CAS:909910-43-6
Formula: C25H19N5S
9.0018e+006
S=C(N1N=C(C2=NC(C)=CC=C2)C(C3=CC=NC4=C3C=CC=C4)=C1)NC5=CC=CC=C5
A'-METHOXY FENTANYL (HYDROCHLORIDE)
CAS:101365-58-6
Formula: C23H30N2O2 • HCl
23013
O=C(C(OC)C)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=CC=C3.Cl
A'-METHYL BUTYRYL FENTANYL (HYDROCHLORIDE)
CAS:2748591-35-5
Formula: C24H32N2O • HCl
22994
O=C(N(C1=CC=CC=C1)C2CCN(CCC3=CC=CC=C3)CC2)C(C)CC.Cl
a,ß-Methyleneadenosine 5'-triphosphate (sodium salt)
CAS:1343364-54-4
Formula: C11H15N5O12P3 • 3Na
1.0009e+007
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP(CP(OP(O)([O-])=O)([O-])=O)([O-])=O.[Na+].[Na+].[Na+]
A-(DIFLUOROMETHYL)-DL-ARGININE
CAS:69955-43-7
Formula: C7H14F2N4O2
16415
FC(F)C(C(O)=O)(N)CCCNC(N)=N
A-1120
CAS:1152782-19-8
Formula: C20H19F3N2O3
30921
FC(F)(F)C1=CC=CC=C1C2CCN(C(NC3=C(C(O)=O)C=CC=C3)=O)CC2
A-1155463
CAS:1235034-55-5
Formula: C35H32FN5O4S2
27369
CN(C)CC#CC1=CC=C(OCCCC2=C(C(O)=O)N=C(N3CC(C(C(NC4=NC5=C(C=CC=C5)S4)=O)=CC=C6)=C6CC3)S2)C(F)=C1
A-1210477
CAS:1668553-26-1
Formula: C46H55N7O7S
21113
CN(C)S(N1CCN(C2=CC=C(OCC3=C(C4=CC=CC5=C4N(CCN6CCOCC6)C(C(O)=O)=C5CCCOC7=C(C=CC=C8)C8=CC=C7)C(C)=NN3C)C=C2)CC1)(=O)=O
A-1331852
CAS:1430844-80-6
Formula: C38H38N6O3S
22963
O=C(O)C1=NC(N2CCC3=CC=CC(C(NC4=NC5=C(C=CC=C5)S4)=O)=C3C2)=CC=C1C6=C(C)N(CC7(C[C@H]8C9)C[C@H]9C[C@H](C8)C7)N=C6
A-196
CAS:1982372-88-2
Formula: C18H16Cl2N4
18317
ClC1=C(Cl)C=C(C(C2=CC=NC=C2)=NN=C3NC4CCCC4)C3=C1
A-205804
CAS:251992-66-2
Formula: C15H12N2OS2
21252
O=C(N)C1=CC2=C(SC3=CC=C(C)C=C3)C=NC=C2S1
A-317491
CAS:475205-49-3
Formula: C33H27NO8
19256
OC(C1=C(C(N([C@H]2CCCC3=C2C=CC=C3)CC4=CC=CC(OC5=CC=CC=C5)=C4)=O)C=C(C(O)=O)C(C(O)=O)=C1)=O
A-366
CAS:1527503-11-2
Formula: C19H27N3O2
16081
NC1=NC2=CC(OCCCN3CCCC3)=C(OC)C=C2C14CCC4
A-39183A
CAS:79426-51-0
Formula: C34H30O10
23239
O=C1C2=C(O)C3=C(O)C=CC=C3C(C4=C5C(C(C[C@](C)(O)[C@H]5C(C)=O)=O)=C(O)C6=C(O)C=CC=C46)=C2[C@H](C(C)=O)[C@@](C)(O)C1
A-395 (HYDROCHLORIDE)
Formula: C26H35FN4O2S • XHCl
20257
CS(N1CCN(C2=CC=C([C@H]3CN(C4CCC5=C4C(F)=CC=C5)C[C@@H]3N(C)C)C=C2)CC1)(=O)=O.Cl
A-419259
CAS:364042-47-7
Formula: C29H34N6O
25605
NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=CN4[C@@H]5CC[C@@H](N6CCN(C)CC6)CC5)C4=NC=N1
A-419259 (HYDROCHLORIDE)
CAS:1435934-25-0
Formula: C29H34N6O • 3HCl
18168
CN(CC1)CCN1[C@H](CC2)CC[C@@H]2N3C4=NC=NC(N)=C4C(C5=CC=C(OC6=CC=CC=C6)C=C5)=C3.Cl.Cl.Cl
A-443654
CAS:552325-16-3
Formula: C24H23N5O
16499
N[C@@H](CC1=CNC2=C1C=CC=C2)COC3=CC(C4=CC(C(C)=NN5)=C5C=C4)=CN=C3
A-485
CAS:1889279-16-6
Formula: C25H24F4N4O5
24119
O=C(NC)NC1=CC=C2C(CC[C@]23C(N(CC(N(CC4=CC=C(F)C=C4)[C@@H](C)C(F)(F)F)=O)C(O3)=O)=O)=C1
A-54556A
CAS:95398-45-1
Formula: C38H50N6O8
15305
O=C([C@@H](NC(/C=C/C=C/C=C/C)=O)CC1=CC=CC=C1)N[C@@H](COC2=O)C(N3[C@H](C(N([C@@H](C)C(N[C@H](C(N4[C@H]2C[C@@H](C)C4)=O)C)=O)C)=O)CCC3)=O
A-54556B
CAS:1629166-56-8
Formula: C37H48N6O8
17090
O=C([C@@H](NC(/C=C/C=C/C=C/C)=O)CC1=CC=CC=C1)N[C@@H](COC2=O)C(N3[C@H](C(N([C@@H](C)C(N[C@H](C(N4[C@H]2CCC4)=O)C)=O)C)=O)CCC3)=O
A-61603
CAS:107756-30-9
Formula: C14H19N3O3S • HBr
17358
OC1=C(NS(C)(=O)=O)C2=C(C(C3=NCCN3)CCC2)C=C1.Br
A-66
CAS:1166227-08-2
Formula: C17H23N5O2S2
17382
CC1=C(C2=CSC(C(C)(C)C)=N2)SC(NC(N3CCC[C@H]3C(N)=O)=O)=N1
A-674563
CAS:552325-73-2
Formula: C22H22N4O
18715
CC1=NNC(C1=C2)=CC=C2C3=CN=CC(OC[C@@H](N)CC4=CC=CC=C4)=C3
A-7 (HYDROCHLORIDE)
CAS:79127-24-5
Formula: C20H29ClN2O2S • HCl
16076
O=S(C1=CC=CC2=C(Cl)C=CC=C21)(NCCCCCCCCCCN)=O.Cl
A-740003
CAS:861393-28-4
Formula: C26H30N6O3
21256
COC1=CC=C(CC(NC(C(C)(C)C)N/C(NC#N)=N\C2=C(C=CC=N3)C3=CC=C2)=O)C=C1OC
A-769662
CAS:844499-71-4
Formula: C20H12N2O3S
11900
OC1=CC=CC=C1C2=CC=C(C3=CSC(N4)=C3C(O)=C(C#N)C4=O)C=C2
A-77-01
CAS:607737-87-1
Formula: C18H14N4
18396
CC1=NC(C2=NNC=C2C3=CC=NC4=C3C=CC=C4)=CC=C1
A-770041
CAS:869748-10-7
Formula: C34H39N9O3
32854
NC1=C2C(C3=CC(OC)=C(C=C3)NC(C4=CC5=CC=CC=C5N4C)=O)=NN([C@@]6([H])CC[C@@](N7CCN(CC7)C(C)=O)([H])CC6)C2=NC=N1
A-771726
CAS:163451-81-8
Formula: C12H9F3N2O2
14404
O=C(/C(C#N)=C(O)/C)NC1=CC=C(C(F)(F)F)C=C1
A-77636 (HYDROCHLORIDE)
CAS:145307-34-2
Formula: C20H27NO3 • HCl
24316
OC1=CC=C2C(C[C@@H](C3(C[C@H](C4)C5)C[C@H]5C[C@H]4C3)O[C@H]2CN)=C1O.Cl
A-779 (TRIFLUOROACETATE SALT)
Formula: C39H60N12O11 • XCF3COOH
23396
O=C([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CCCNC(N)=N)=O)C(C)C)=O)N[C@]([H])(C(N[C@@H](CC2=CNC=N2)C(N[C@@H](C(O)=O)C)=O)=O)[C@H](CC)C.FC(F)(C(O)=O)F
A-784168
CAS:824982-41-4
Formula: C19H15F6N3O3S
32855
O=C(C1=CCN(C2=NC=CC=C2C(F)(F)F)CC1)NC3=CC=C(S(=O)(C(F)(F)F)=O)C=C3
A-796260
CAS:895155-26-7
Formula: C22H30N2O2
11606
CC(C1(C)C)(C)C1C(C2=CN(CCN3CCOCC3)C4=CC=CC=C42)=O
A-803467
CAS:944261-79-4
Formula: C19H16ClNO4
1.00126e+007
COc1cc(OC)cc(c1)NC(=O)c1ccc(o1)c1ccc(Cl)cc1
A-804598
CAS:1125758-85-1
Formula: C19H17N5
20060
C[C@H](N/C(NC#N)=N\C1=CC=CC2=C1C=CC=N2)C3=CC=CC=C3
A-83016F
CAS:142435-72-1
Formula: C37H55NO10
23240
C/C=C\C=C\[C@@H]1O[C@@]([C@H](CC)C(NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@]2([H])C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(O)=O)O2)=O)(O)[C@H](O)[C@H](O)C1(C)C
A-834735
CAS:895155-57-4
Formula: C22H29NO2
11163
O=C(C1C(C)(C)C1(C)C)C2=CN(CC3CCOCC3)C4=CC=CC=C42
A-836339
CAS:959746-77-1
Formula: C16H26N2O2S
13898
CC1=C(C)N(CCOC)/C(S1)=N/C(C2C(C)(C)C2(C)C)=O
A-839977
CAS:870061-27-1
Formula: C19H14Cl2N6O
30934
ClC1=CC=CC(N2C(NCC3=CC=CC=C3OC4=CC=CC=N4)=NN=N2)=C1Cl
A-841720
CAS:869802-58-4
Formula: C17H21N5OS
21807
O=C1N(N2CCCCCC2)C=NC3=C1SC4=C3C(N(C)C)=CC=N4
A-867744
CAS:1000279-69-5
Formula: C20H19ClN2O3S
32974
CC1=C(C(CC)=O)C=C(C2=CC=C(Cl)C=C2)N1C3=CC=C(S(N)(=O)=O)C=C3
A-939572
CAS:1032229-33-6
Formula: C20H22ClN3O3
19123
ClC1=CC=CC=C1OC2CCN(C(NC3=CC(C(NC)=O)=CC=C3)=O)CC2
A-943931 (HYDROCHLORIDE HYDRATE)
Formula: C17H21N5 • 2HCl [XH2O]
34554
NC1=NC(N2CC[C@H](C2)N)=C(CCCC3=CC=CC=C34)C4=N1.O.Cl.Cl
A-966492
CAS:934162-61-5
Formula: C18H17FN4O
26378
NC(C1=C(NC(C2=CC=C([C@H]3NCCC3)C=C2F)=N4)C4=CC=C1)=O
A-967079
CAS:1170613-55-4
Formula: C12H14FNO
15207
FC1=CC=C(/C=C(C)/C(CC)=N/O)C=C1
A-971432
CAS:1240308-45-5
Formula: C18H17Cl2NO3
25326
ClC1=C(Cl)C=C(COC2=CC=C(CN3CC(C(O)=O)C3)C=C2)C=C1
A-ACETYL BOSWELLIC ACID
CAS:89913-60-0
Formula: C32H50O4
11673
CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@]4(C)[C@]([C@](CC[C@@H](OC(C)=O)[C@@]5(C(O)=O)C)(C)[C@@]5([H])CC4)([H])CC=C3[C@]2([H])C1
A-AMYRIN
CAS:638-95-9
Formula: C30H50O
29831
CC1(C)[C@@H](O)CC[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C)[C@@]4([H])[C@@H](C)[C@H](C)CC5
A-ARBUTIN
CAS:84380-01-8
Formula: C12H16O7
35386
O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O
A-ASARONE
CAS:2883-98-9
Formula: C12H16O3
11681
COC1=CC(/C=C/C)=C(OC)C=C1OC
A-BOSWELLIC ACID
CAS:471-66-9
Formula: C30H48O3
11692
O[C@@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C)[C@@]4([H])CC(C)(C)CC5)([H])[C@]1(C(O)=O)C
A-BUNGAROTOXIN (TRIFLUOROACETATE SALT)
Formula: C338H529N97O105S11 • XCF3COOH
16385
CC[C@H](C)[C@](C(N[C@@H](C(C)C)C(N[C@@H](CSSC[C@H](N1)C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN[H])C(N[C@@H](CCSC)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CSSC[C@H](N5)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CCCCN[H
A-BUTYLAMINOHEXANOPHENONE (HYDROCHLORIDE)
CAS:18296-66-7
Formula: C16H25NO • HCl
27728
O=C(C(CCCC)NCCCC)C1=CC=CC=C1.Cl
A-CAROTENE
CAS:7488-99-5
Formula: C40H56
19772
CC1(C)[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)=CCC1
A-CEHC
CAS:4072-32-6
Formula: C16H22O4
1.00077e+007
CC1=C(OC(CCC(O)=O)(C)CC2)C2=C(C)C(O)=C1C
A-CEMBRENEDIOL
CAS:57605-80-8
Formula: C20H34O2
36042
CC([C@H]1/C=C/[C@@](O)(C[C@H](/C=C(CC/C=C(CC1)\C)/C)O)C)C
A-CGRP (8-37) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C139H230N44O38 • XCF3COOH
24406
NC([C@@H](NC([C@@H](NC([C@H](CCCCN)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@]([C@@H](C)O)([H])NC([C@@H]1CCCN1C([C@H](C(C)C)NC([C@@H](NC([C@H](CC(N)=O)NC([C@H](CC(N)=O)NC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](C(C)C)NC(CNC(CNC([C@H](CO)NC([C@H](
A-CGRP (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C163H267N51O49S2 • XCF3COOH
24405
NC([C@@H](NC([C@@H](NC([C@H](CCCCN)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@]([C@@H](C)O)([H])NC([C@@H]1CCCN1C([C@H](C(C)C)NC([C@@H](NC([C@H](CC(N)=O)NC([C@H](CC(N)=O)NC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](C(C)C)NC(CNC(CNC([C@H](CO)NC([C@H](
A-CGRP (RAT) (TRIFLUOROACETATE SALT)
Formula: C162H262N50O52S2 • XCF3COOH
24728
NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@@]([C@@H](C)O)([H])NC([C@@H]1CCCN1C([C@H](C(C)C)NC([C@@H](NC([C@H](CC(N)=O)NC([C@@H](NC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](C(C)C)NC(CNC(CNC([C@H](CO)NC([C@H](CCCN
a-Conotoxin PnIA (trifluoroacetate salt)
Formula: C65H95N19O22S4 • XCF3COOH
36197
OC(C[C@H](NC([C@@H]1CCCN1C([C@H](CC(N)=O)NC([C@H](CC(N)=O)NC([C@@H](NC([C@@H](NC([C@H](CSSC2)NC([C@@H]3CCCN3C([C@@H]4CCCN4C([C@@H](NC([C@H](CO)NC([C@H]5NC([C@H]2NC(CN[H])=O)=O)=O)=O)CC(C)C)=O)=O)=O)=O)C)=O)C)=O)=O)=O)=O)C(N[C@@H](CC(C=C6)=CC=C6O)C(N[C@@H]
A-COPAENE
CAS:3856-25-5
Formula: C15H24
25770
CC1=CC[C@]2([H])[C@]3(C)[C@@]1([H])[C@@]2([H])[C@H](C(C)C)CC3
A-CORTOLONE
CAS:516-42-7
Formula: C21H34O5
35609
C[C@@]12[C@](CC[C@]2(O)[C@@H](O)CO)([H])[C@@]3([H])[C@@](C(C1)=O)([H])[C@@]4([C@](C[C@@H](CC4)O)([H])CC3)C
A-CYANO-4-HYDROXYCINNAMIC ACID
CAS:28166-41-8
Formula: C10H7NO3
15254
OC1=CC=C(/C=C(C(O)=O)\C#N)C=C1
A-CYCLODEXTRIN (HYDRATE)
CAS:51211-51-9
Formula: C36H60O30 • xH2O
31219
OC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@@]3([H])[C@@H]4O)([H])[C@@H]2O)CO)([H])[C@@H]1O)CO)([H])[C@@H]5O)[C@](O[C@](O[C@@H]6CO)([H])[C@@H]([C@H]([C@]6([H])O[C@](O[C@@H]7CO)([H])[C@@H]([C@H]([C@]7([H])O[C@](O[C
A-CYPERONE
CAS:473-08-5
Formula: C15H22O
34294
C[C@]12C(C[C@@H](CC1)C(C)=C)=C(C(CC2)=O)C
A-D-GALACTOPYRANOSYLPHENYL ISOTHIOCYANATE
CAS:120967-92-2
Formula: C13H15NO6S
19544
S=C=NC(C=C1)=CC=C1O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2
a-D-Galactose-1-phosphate (potassium salt hydrate)
Formula: C6H11O9P • 2K [XH2O]
17863
O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OP([O-])([O-])=O)O[C@@H]1CO.[K+].[K+].O
A-D-GLUCOSE-1,6-BISPHOSPHATE (CYCLOHEXYL AMMONIUM SALT HYDRATE)
Formula: C6H14O12P2 • 4C6H13N [XH2O]
16464
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O[C@@H]1OP(O)(O)=O.NC2CCCCC2.NC3CCCCC3.NC4CCCCC4.NC5CCCCC5.O
A-D-GLUCOSE-1-PHOSPHATE (SODIUM SALT HYDRATE)
CAS:150399-99-8
Formula: C6H11O9P • 2Na [4H2O]
30566
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OP([O-])([O-])=O)O1.[Na+].[Na+].O.O.O.O
A-DIETHYLAMINOHEXANOPHENONE (HYDROCHLORIDE)
Formula: C16H25NO • HCl
27729
O=C(C(CCCC)N(CC)CC)C1=CC=CC=C1.Cl
A-DIMETHYLAMINOHEXANOPHENONE (HYDROCHLORIDE)
Formula: C14H21NO • HCl
33703
O=C(C(N(C)C)CCCC)C1=CC=CC=C1.Cl
A-DIMETHYLAMINOPENTIOPHENONE (HYDROCHLORIDE)
Formula: C13H19NO • HCl
9.00158e+006
O=C(C(CCC)N(C)C)C1=CC=CC=C1.Cl
A-ECDYSONE
CAS:3604-87-3
Formula: C27H44O6
11711
O=C1[C@]2([H])C[C@@H](O)[C@@H](O)C[C@]2(C)[C@]3([H])C([C@@](CC[C@@H]4[C@H](C)[C@H](O)CCC(C)(O)C)(O)[C@]4(C)CC3)=C1
A-ENDORPHIN (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE)
CAS:59004-96-5
Formula: C77H120N18O26S
24958
[H]N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CCC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N1CCC[C@H]1C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@@H](C)O)([H])C(O)=O)=O)=O)=O)=O)=O
A-ETHYL 2C-D (HYDROCHLORIDE)
CAS:54690-19-6
Formula: C13H21NO2 • HCl
26596
COC1=C(CC(CC)N)C=C(OC)C(C)=C1.Cl
A-ETHYLAMINO-3,3-DIMETHYLBUTYROPHENONE (HYDROCHLORIDE)
CAS:2707567-71-1
Formula: C14H21NO • HCl
25657
O=C(C(C(C)(C)C)NCC)C1=CC=CC=C1.Cl
A-ETHYLAMINOISOHEXANOPHENONE (HYDROCHLORIDE)
Formula: C14H21NO • HCl
34866
O=C(C(CC(C)C)NCC)C1=CC=CC=C1.Cl
A-ETHYLAMINOPENTIOPHENONE (HYDROCHLORIDE)
CAS:18268-16-1
Formula: C13H19NO • HCl
14280
O=C(C(NCC)CCC)C1=CC=CC=C1.Cl
A-ETHYLTRYPTAMINE
CAS:2235-90-7
Formula: C12H16N2
14653
NC(CC)CC1=CNC2=CC=CC=C21
A-GALCER ANALOG 8
CAS:922727-14-8
Formula: C50H97N3O8
26660
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)([H])N2N=NC(CCCCCCCCCCCCCCCCCCCCCCCC)=C2
A-GUANIDINOGLUTARIC ACID
CAS:73477-53-9
Formula: C6H11N3O4
80340
NC(=N)N[C@@H](CCC(=O)O)C(=O)O
A-HEDERIN
CAS:27013-91-8
Formula: C41H66O12
28164
CC1(C)CC[C@@](CC[C@]2(C)C3=CC[C@@]4([H])[C@@]2(C)CC[C@]5([H])[C@]4(C)CC[C@H](O[C@]6([H])OC[C@H](O)[C@H](O)[C@H]6O[C@@]7([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@]5(C)CO)(C(O)=O)[C@@]3([H])C1
a-Helical CRF (9-41) (trifluoroacetate salt)
Formula: C166H274N46O53S2 • XCF3COOH
35650
OC(CC[C@H](NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](NC([C@H](CC1=CNC=N1)NC([C@@H](NC([C@]([H])([C@@H](C)O)NC([C@@H](NC([C@H](CC(O)=O)N[H])=O)CC(C)C)=O)=O)CC2=CC=CC=C2)=O)=O)CC(C)C)=O)CC(C)C)=O)=O)C(N[C@@H](CCSC)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCSC)C(
A-HUMULENE
CAS:6753-98-6
Formula: C15H24
21574
C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1
a-hydroxy Bromazolam
Formula: C17H13BrN4O
37844
BrC1=CC=C2C(C(C3=CC=CC=C3)=NCC4=NN=C(CO)N42)=C1
A-HYDROXY CLONAZOLAM
Formula: C17H12ClN5O3
35907
ClC1=CC=CC=C1C2=NCC3=NN=C(CO)N3C4=CC=C([N+]([O-])=O)C=C42
A-HYDROXY ETIZOLAM
CAS:64546-10-7
Formula: C17H15ClN4OS
27780
CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C4=C(SC(C(O)C)=C4)N21
A-HYDROXY FARNESYL PHOSPHONIC ACID
CAS:148796-53-6
Formula: C15H27O4P
63420
C/C(=C\CC\C(=C\C(O)P(=O)(O)O)\C)/CCC=C(C)C
A-HYDROXY FLUALPRAZOLAM
CAS:37115-46-1
Formula: C17H12ClFN4O
29206
ClC1=CC=C2C(C(C3=CC=CC=C3F)=NCC4=NN=C(CO)N42)=C1
A-HYDROXY FLUBROMAZOLAM
CAS:2204237-96-5
Formula: C17H12BrFN4O
26588
BrC1=CC(C(C2=CC=CC=C2F)=NC3)=C(C=C1)N4C3=NN=C4CO
A-HYDROXY METOPROLOL
CAS:56392-16-6
Formula: C15H25NO4
28020
COCC(O)C1=CC=C(OCC(O)CNC(C)C)C=C1
a-hydroxy Midazolam
CAS:59468-90-5
Formula: C18H13ClFN3O
10385
FC1=CC=CC=C1C2=NCC3=CN=C(CO)N3C4=C2C=C(Cl)C=C4
A-HYDROXY TAMOXIFEN
CAS:97151-02-5
Formula: C26H29NO2
17204
CC(O)/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)/C3=CC=C(OCCN(C)C)C=C3
a-hydroxy Triazolam
CAS:37115-45-0
Formula: C17H12Cl2N4O
39390
OCC1=NN=C(N1C2=CC=C(Cl)C=C23)CN=C3C4=C(Cl)C=CC=C4
a-hydroxy-4'-chloro Deschloroalprazolam
Formula: C17H13ClN4O
40819
ClC1=CC=C(C2=NCC3=NN=C(CO)N3C4=CC=CC=C24)C=C1
A-HYDROXYGLUTARIC ACID (SODIUM SALT)
CAS:40951-21-1
Formula: C5H6O5 • 2Na
16374
[O-]C(C(CCC([O-])=O)O)=O.[Na+].[Na+]
A-ISOBUTYLAMINOHEXANOPHENONE (HYDROCHLORIDE)
Formula: C16H25NO • HCl
26944
O=C(C(CCCC)NCC(C)C)C1=CC=CC=C1.Cl
A-ISOPROPYLAMINOHEXANOPHENONE (HYDROCHLORIDE)
CAS:18296-61-2
Formula: C15H23NO • HCl
31005
O=C(C(CCCC)NC(C)C)C1=CC=CC=C1.Cl
A-ISOPROPYLAMINOPENTIOPHENONE (HYDROCHLORIDE)
CAS:18268-14-9
Formula: C14H21NO • HCl
20021
O=C(C(NC(C)C)CCC)C1=CC=CC=C1.Cl
A-KETOGLUTARIC ACID
CAS:328-50-7
Formula: C5H6O5
33693
O=C(C(CCC(O)=O)=O)O
A-KETOGLUTARIC ACID (SODIUM SALT)
CAS:22202-68-2
Formula: C5H6O5 • Na
9.00183e+006
O=C(C(CCC(O)=O)=O)O.[Na]
A-KETOISOCAPROIC ACID (SODIUM SALT)
CAS:4502-00-5
Formula: C6H9O3 • Na
21052
[O-]C(C(CC(C)C)=O)=O.[Na+]
A-LINOLENIC ACID (SODIUM SALT)
CAS:822-18-4
Formula: C18H29O2 • Na
21910
CC/C=C\C/C=C\C/C=C\CCCCCCCC([O-])=O.[Na+]
A-LIPOMYCIN
CAS:51053-40-8
Formula: C32H45NO9
23659
C[C@H]1O[C@@H](OC(C(/C=C(C)/C=C/C=C/C=C/C=C/C(C2=C(O)C(CCC(O)=O)N(C)C2=O)=O)C)C(C)C)C[C@H](O)[C@@H]1O
A-METHYL SEROTONIN (MALEATE)
CAS:97469-12-0
Formula: C11H14N2O • C4H4O4
28542
OC1=CC=C2C(C(CC(C)N)=CN2)=C1.OC(/C=C\C(O)=O)=O
A-METHYL THIOFENTANYL (HYDROCHLORIDE)
CAS:117332-94-2
Formula: C21H28N2OS • HCl
20821
O=C(N(C1=CC=CC=C1)C2CCN(C(C)CC3=CC=CS3)CC2)CC.Cl
A-METHYL TRYPTAMINE (HYDROCHLORIDE)
CAS:879-36-7
Formula: C11H14N2 • HCl
11135
NC(C)CC1=CNC2=C1C=CC=C2.Cl
A-METHYLAMINOISOHEXANOPHENONE (HYDROCHLORIDE)
Formula: C13H19NO • HCl
30240
O=C(C(CC(C)C)NC)C1=CC=CC=C1.Cl
A-MSH (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
CAS:171869-93-5
Formula: C77H109N21O19S • XCF3COOH
29923
O=C(NCC(N[C@@H](CCCCN)C(N(CCC1)[C@@H]1C(N[C@H](C(N)=O)C(C)C)=O)=O)=O)[C@@H](NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](CCSC)NC([C@H](CO)NC([C@@H](NC([C@H](CO)NC(C)=O)=O)CC(C=C2)=CC=C2O)=O)=O)=O)=O)CC3=CN=CN3)=O)CC4=CC=CC=C4)=O)=O)C
A-MURICHOLIC ACID
CAS:2393-58-0
Formula: C24H40O5
20291
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
A-MURICHOLIC ACID-D4
Formula: C24H36D4O5
27036
C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C
A-NAAG
CAS:3106-85-2
Formula: C11H16N2O8
33337
OC(CC[C@@H](C(O)=O)NC([C@@H](NC(C)=O)CC(O)=O)=O)=O
A-NAPHTHOFLAVONE
CAS:604-59-1
Formula: C19H12O2
16924
O=C1C2=C(C(C=CC=C3)=C3C=C2)OC(C4=CC=CC=C4)=C1
A-NETA
CAS:31059-54-8
Formula: C16H20NO • I
15125
O=C(CC[N+](C)(C)C)C1=CC2=CC=CC=C2C=C1.[I-]
A-PHENYL-A-(2-PYRIDYL)ACETONITRILE
CAS:5005-36-7
Formula: C13H10N2
16224
N#CC(C1=CC=CC=C1)C2=CC=CC=N2
A-PHENYLACETOACETONITRILE
CAS:4468-48-8
Formula: C10H9NO
21105
O=C(C)C(C#N)C1=CC=CC=C1
A-PHTHALIMIDOPROPIOPHENONE
CAS:19437-20-8
Formula: C17H13NO3
17141
O=C(C(C)N1C(C(C=CC=C2)=C2C1=O)=O)C3=CC=CC=C3
A-PIPERIDINOBUTIOPHENONE (HYDROCHLORIDE)
CAS:92728-82-0
Formula: C15H21NO • HCl
9.00151e+006
O=C(C(N1CCCCC1)CC)C2=CC=CC=C2.Cl
A-PONASA
Formula: C25H33NO3S
37742
O=S(C1=CC=C(OCCCCC)C2=CC=CC=C21)(NC34C[C@@H](C[C@H](C5)C4)C[C@@H]5C3)=O
A-PROPYLAMINOPENTIOPHENONE (HYDROCHLORIDE)
CAS:18268-15-0
Formula: C14H21NO • HCl
17085
O=C(C(NCCC)CCC)C1=CC=CC=C1.Cl
A-PYRROLIDINO-2-PHENYLACETOPHENONE (HYDROCHLORIDE)
CAS:27590-61-0
Formula: C18H19NO • HCl
31719
O=C(C(C1=CC=CC=C1)N2CCCC2)C3=CC=CC=C3.Cl
A-PYRROLIDINOBUTIOTHIOPHENONE (HYDROCHLORIDE)
CAS:2518265-88-6
Formula: C12H17NOS • HCl
15358
O=C(C(CC)N1CCCC1)C2=CC=CS2.Cl
A-PYRROLIDINOCYCLOHEXANOPHENONE (HYDROCHLORIDE)
CAS:1803168-16-2
Formula: C18H25NO • HCl
30241
O=C(C(C1CCCCC1)N2CCCC2)C3=CC=CC=C3.Cl
A-PYRROLIDINOHEXANOPHENONE METABOLITE (HYDROCHLORIDE)
CAS:2835138-22-0
Formula: C16H25NO • HCl
31346
OC(C(CCCC)N1CCCC1)C2=CC=CC=C2.Cl
a-Pyrrolidinohexanophenone-d8 (hydrochloride)
Formula: C16H15D8NO • HCl
38172
O=C(C(CCCC)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H])C2=CC=CC=C2.Cl
A-PYRROLIDINOISOHEXANOPHENONE (HYDROCHLORIDE)
CAS:2705245-60-7
Formula: C16H23NO • HCl
21682
O=C(C(CC(C)C)N1CCCC1)C2=CC=CC=C2.Cl
a-Pyrrolidinoisohexanophenone-d8 (hydrochloride)
Formula: C16H15D8NO • HCl
38168
O=C(C(CC(C)C)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H])C2=CC=CC=C2.Cl
A-PYRROLIDINONONANOPHENONE (HYDROCHLORIDE)
CAS:2748414-29-9
Formula: C19H29NO • HCl
17138
O=C(C(CCCCCCC)N1CCCC1)C2=CC=CC=C2.Cl
A-PYRROLIDINOPENTIOPHENONE METABOLITE 1 (TRIFLUOROACETATE SALT)
CAS:1797986-63-0
Formula: C15H23NO • CF3COOH
14093
OC(C(CCC)N1CCCC1)C2=CC=CC=C2.FC(F)(C(O)=O)F
A-PYRROLIDINOPENTIOTHIOPHENONE (HYDROCHLORIDE)
CAS:2748622-52-6
Formula: C13H19NOS • HCl
14182
O=C(C(CCC)N1CCCC1)C2=CC=CS2.Cl
A-PYRROLIDINOPROPIOPHENONE (HYDROCHLORIDE)
CAS:92040-10-3
Formula: C13H17NO • HCl
10445
O=C(C(C)N1CCCC1)C2=CC=CC=C2.Cl
A-SPINASTEROL
CAS:481-18-5
Formula: C29H48O
14197
CC(C)[C@H](CC)/C=C/[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
A-TRUXILLIC ACID
CAS:490-20-0
Formula: C18H16O4
14865
OC([C@H]1[C@H](C2=CC=CC=C2)[C@H](C(O)=O)[C@H]1C3=CC=CC=C3)=O
A-ZEARALANOL
CAS:26538-44-3
Formula: C18H26O5
23424
OC1=C(C(O[C@@H](C)CCC[C@H](O)CCCCC2)=O)C2=CC(O)=C1
A-ZEARALENOL
CAS:36455-72-8
Formula: C18H24O5
16549
OC1=C(C(O[C@@H](C)CCC[C@H](O)CCC/C=C/2)=O)C2=CC(O)=C1
A01
CAS:1007647-73-5
Formula: C22H20ClF3N4O3S
26137
ClC1=CC=C(S(N2CCN(C(C3=CC=C(N4C(C)=CC=N4)C=C3)=O)CC2)(=O)=O)C=C1C(F)(F)F
A011
Formula: C27H28N6O
39183
CN(C)CCCOC1=NC=C(C2=CC=C(N=CC3=C4N([C@H](C)C5=CC=CC=C5)N=N3)C4=C2)C=C1
A1-28
Formula: C58H115N3O6S6
39590
CCCCCCCCCCCCSSCCOC(CCNCCCN(C)CCCN(CCC(OCCSSCCCCCCCCCCCC)=O)CCC(OCCSSCCCCCCCCCCCC)=O)=O
A11 (trifluoroacetate salt)
Formula: C117H204N46O32 • XCF3COOH
35653
OC(C=C1)=CC=C1C[C@@H](C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC([C@H](CCC(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H]
A17
CAS:2568186-47-8
Formula: C31H51NO6
39686
O=CO[C@@H]1[C@]2([H])[C@@](CC[C@]3([C@@]2([H])CC[C@]3([H])[C@@H](CCC(N[C@H](CO)C(C)C)=O)C)C)([H])[C@@]4([C@](C[C@@H](CC4)OC=O)([H])C1)C
A20FMDV2 (trifluoroacetate salt)
Formula: C93H163N31O28 • XCF3COOH
36958
OC(C(F)(F)F)=O.O=C(N[C@H](C(N[C@@H](C(C)C)C(N1CCC[C@H]1C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN[H])C(N[C@@H](C(C)C)C(N[C@H](C(N[C
A23187
CAS:52665-69-7
Formula: C29H37N3O6
11016
O=C([C@@H](C)[C@]1([H])[C@H](C)C[C@@H](C)[C@@]2(O[C@H](CC3=NC(C(C(O)=O)=C(NC)C=C4)=C4O3)[C@H](C)CC2)O1)C5=CC=CN5
A23187 (CALCIUM MAGNESIUM SALT)
Formula: [C29H36N3O6]2 Ca • [C29H36N3O6]2 Mg
22030
O=C(C1=C2N=C(C[C@H]3O[C@]4(O[C@H]([C@H](C)C(C5=CC=CN5)=O)[C@H](C)C[C@H]4C)CC[C@H]3C)OC2=CC=C1NC)[O-].O=C(C6=C7N=C(C[C@H]8O[C@]9(O[C@H]([C@H](C)C(C%10=CC=CN%10)=O)[C@H](C)C[C@H]9C)CC[C@H]8C)OC7=CC=C6NC)[O-].O=C(C%11=C%12N=C(C[C@H]%13O[C@]%14(O[C@H]([C@H](C
A2764 (hydrochloride)
CAS:861038-72-4
Formula: C15H19ClN2O • 2HCl
36943
CCN(CC)CCOC1=CC=C(Cl)C2=C1N=CC=C2.Cl.Cl
A2793
CAS:88349-90-0
Formula: C13H12ClNO3
41081
ClC(C1=C2N=CC=C1)=CC=C2OCC(OCC)=O
A286982
CAS:280749-17-9
Formula: C24H27N3O4S
27646
CC(C)C1=C(SC2=C([N+]([O-])=O)C=C(/C=C/C(N3CCN(C(C)=O)CC3)=O)C=C2)C=CC=C1
A2AR AGONIST-1
CAS:41552-95-8
Formula: C20H22N6O4
28414
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)N2C=NC3=C(NCCC4=CNC5=C4C=CC=C5)N=CN=C32
A6770
CAS:1331754-16-5
Formula: C6H8N2O2
29972
OCC1=CN=C(C(C)=O)N1
AA-861
CAS:80809-81-0
Formula: C21H26O3
13263
CC1=C(C)C(C(CCCCC#CCCCC#CCO)=C(C)C1=O)=O
AA147
CAS:393121-74-9
Formula: C16H17NO2
27143
OC1=C(NC(CCC2=CC=CC=C2)=O)C=C(C)C=C1
AA26-8
CAS:1312782-34-5
Formula: C7H10N4O
36937
O=C(N1CCCC1)N2N=NC=C2
AA43279
CAS:354812-16-1
Formula: C12H12N2O2S
40428
O=C(C1=C(N)C=C(C2=CC=C(C=C2)OC)S1)N
AA92593
CAS:457961-34-1
Formula: C13H19NO3S
35836
O=S(C1=CC=C(C(C)=C1)OC)(N2CCCCC2)=O
AAA
Formula: C24H39NO6 • 2Na
32733
OCCCC/C=C\CCCCCCC/C=C\CCCCC(NC(C([O-])=O)CC([O-])=O)=O.[Na+].[Na+]
AAF-CMK (TRIFLUOROACETATE SALT)
CAS:184901-82-4
Formula: C16H22ClN3O3 • CF3COOH
14461
N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC1=CC=CC=C1)C(CCl)=O)=O)=O.FC(F)(C(O)=O)F
AAL-993
CAS:269390-77-4
Formula: C20H16F3N3O
16351
O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC=CC=C2NCC3=CC=NC=C3
AAPH
CAS:2997-92-4
Formula: C8H18N6 • 2HCl
82235
N/C(C(C)(C)/N=N/C(C)(C)/C(N)=N\[H])=N/[H].Cl.Cl
AAT-008
CAS:847727-81-5
Formula: C21H16ClFN2O4
21810
C[C@H](NC(C1=CC(Cl)=CN=C1OC2=CC=CC(F)=C2)=O)C3=CC=C(C(O)=O)C=C3
AB-005
CAS:895155-25-6
Formula: C23H32N2O
11766
O=C(C1C(C)(C)C1(C)C)C2=CN(CC3CCCCN3C)C4=CC=CC=C42
AB-005 AZEPANE ISOMER
CAS:1445751-74-5
Formula: C23H32N2O
11877
O=C(C1C(C)(C)C1(C)C)C2=CN(C3CCCCN(C)C3)C4=CC=CC=C42
AB-5Br-INACA
Formula: C13H15BrN4O2
39953
O=C(N[C@H](C(N)=O)C(C)C)C1=NNC2=C1C=C(Br)C=C2
AB-680
CAS:2105904-82-1
Formula: C20H24ClFN4O9P2
32798
O=P(O)(O)CP(OC[C@H]1O[C@](N2C3=NC(Cl)=CC(N[C@@H](C)C4=CC=CC=C4F)=C3C=N2)([H])[C@H](O)[C@@H]1O)(O)=O
AB-7-FUBAICA
CAS:2704018-56-2
Formula: C20H21FN4O2
23059
O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CC2=CC=C(F)C=C2)C3=C1C=CC=N3
AB-BICA
CAS:1969264-37-6
Formula: C21H23N3O2
18759
O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3
AB-CHMIATA
Formula: C22H31N3O2
38136
NC([C@H](C(C)C)NC(CC1=CN(CC2CCCCC2)C3=C1C=CC=C3)=O)=O
AB-CHMINACA METABOLITE M1A
CAS:2130879-83-1
Formula: C20H28N4O3
16387
O=C(N[C@@H](C(C)C)C(N)=O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M1B
CAS:2131173-54-9
Formula: C20H28N4O3
16388
O=C(N[C@@H](C(C)C)C(N)=O)C1=NN(CC2CC(O)CCC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M2
CAS:1185887-51-7
Formula: C20H27N3O3
16389
O=C(N[C@@H](C(C)C)C(O)=O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M3A
CAS:2131173-58-3
Formula: C20H27N3O4
16391
O=C(N[C@@H](C(C)C)C(O)=O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M4
CAS:1271630-11-5
Formula: C15H18N2O2
16393
O=C(O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M5A
CAS:2207957-90-0
Formula: C15H18N2O3
16394
O=C(O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3
AB-CHMINACA METABOLITE M6
CAS:2748161-80-8
Formula: C20H26N4O4
16453
O=C(NC(C(C)C(O)=O)C(N)=O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
AB-FUBINACA 2'-INDAZOLE ISOMER
CAS:2237297-00-4
Formula: C20H21FN4O2
23065
O=C(N[C@@H](C(C)C)C(N)=O)C1=C2C(C=CC=C2)=NN1CC3=CC=C(F)C=C3
AB-FUBINACA 2-FLUOROBENZYL ISOMER
Formula: C20H21FN4O2
9.00152e+006
O=C(N[C@H](C(N)=O)C(C)C)C1=NN(CC2=C(F)C=CC=C2)C3=C1C=CC=C3
AB-FUBINACA 3-FLUOROBENZYL ISOMER
CAS:1185282-19-2
Formula: C20H21FN4O2
9.00152e+006
O=C(N[C@H](C(N)=O)C(C)C)C1=NN(CC2=CC(F)=CC=C2)C3=C1C=CC=C3
AB-FUBINACA ISOMER 1
Formula: C20H21FN4O2
9.00153e+006
O=C(NC(C(N)=O)CCC)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-FUBINACA ISOMER 2
CAS:2365471-64-1
Formula: C20H21FN4O2
9.00153e+006
O=C(NC(C(N)=O)(C)CC)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-FUBINACA ISOMER 5
Formula: C20H21FN4O2
9.00155e+006
O=C(N(C)C(C(N)=O)CC)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-FUBINACA METABOLITE 2A
CAS:2460433-24-1
Formula: C20H19FN4O4
15529
O=C(NC(C(N)=O)C(C)C(O)=O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-FUBINACA METABOLITE 2B
CAS:2460433-24-1
Formula: C20H19FN4O4
17947
O=C(NC(C(N)=O)C(C)C(O)=O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-FUBINACA METABOLITE 4
CAS:50264-63-6
Formula: C15H11FN2O2
20179
O=C(O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
AB-ICA
Formula: C14H17N3O2
39401
O=C(N[C@H](C(N)=O)C(C)C)C1=CNC2=C1C=CC=C2
AB-INACA
CAS:1887742-41-7
Formula: C13H16N4O2
39400
O=C(N[C@H](C(N)=O)C(C)C)C1=NNC2=C1C=CC=C2
AB-MECA
CAS:152918-26-8
Formula: C18H21N7O4
28415
[H][C@]1(O[C@H](C(NC)=O)[C@@H](O)[C@H]1O)N2C=NC3=C(NCC4=CC=C(N)C=C4)N=CN=C32
AB-PINACA 3-CARBOXYINDAZOLE METABOLITE
CAS:1283576-17-9
Formula: C13H16N2O2
27732
O=C(O)C1=NN(CCCCC)C2=C1C=CC=C2
AB-PINACA N-(2-FLUOROPENTYL) ISOMER
CAS:2374983-23-8
Formula: C18H25FN4O2
15439
O=C(NC(C(N)=O)C(C)C)C1=NN(CC(F)CCC)C2=C1C=CC=C2
AB-PINACA N-(4-HYDROXYPENTYL) METABOLITE
CAS:2460433-25-2
Formula: C18H26N4O3
15049
O=C(NC(C(N)=O)C(C)C)C1=NN(CCCC(O)C)C2=C1C=CC=C2
AB-PINACA N-PENTANOIC ACID METABOLITE
CAS:1879029-93-2
Formula: C18H24N4O4
15051
O=C(NC(C(N)=O)C(C)C)C1=NN(CCCCC(O)=O)C2=C1C=CC=C2
AB-PINACA-D9
CAS:2484976-98-7
Formula: C18H17D9N4O2
15057
O=C(N[C@H](C(N)=O)C(C)C)C1=NN(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2
ABACAVIR
CAS:136470-78-5
Formula: C14H18N6O
36925
OC[C@H](C=C1)C[C@@]1([H])N2C3=NC(N)=NC(NC4CC4)=C3N=C2
ABACAVIR (SULFATE)
CAS:216699-07-9
Formula: C14H18N6O • H2SO4
14746
NC1=NC(N([C@H]2C=C[C@@H](CO)C2)C=N3)=C3C(NC4CC4)=N1.O=S(O)(O)=O
ABACAVIR CARBOXYLATE
CAS:384380-52-3
Formula: C14H16N6O2
27777
NC1=NC(N([C@H]2C=C[C@@H](C(O)=O)C2)C=N3)=C3C(NC4CC4)=N1
ABACAVIR-D4
CAS:1260619-56-4
Formula: C14H14D4N6O
30076
NC1=NC(N([C@@]2([H])C=C[C@@H](CO)C2)C=N3)=C3C(NC4C([2H])([2H])C4([2H])[2H])=N1
ABAFUNGIN
CAS:129639-79-8
Formula: C21H22N4OS
35465
CC1=CC(C)=CC=C1OC2=C(C=CC=C2)C3=CSC(NC4=NCCCN4)=N3
ABALOPARATIDE (ACETATE)
Formula: C174H300N56O49 • XC2H4O2
28816
CC(O)=O.C[C@@H](C(N)=O)NC([C@H]([C@H](O)C)NC([C@H](CC1=CNC=N1)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC(C(C)(C)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCC(O)=O)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCC(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)
ABAMETAPIR
CAS:1762-34-1
Formula: C12H12N2
30684
CC1=CC=C(C2=CC=C(C)C=N2)N=C1
ABARELIX (ACETATE)
CAS:785804-17-3
Formula: C72H95ClN14O14 • XC2H4O2
28746
CC(N[C@H](CC1=CC(C=CC=C2)=C2C=C1)C(N[C@H](CC3=CC=C(Cl)C=C3)C(N[C@H](CC4=CC=CN=C4)C(N[C@@H](CO)C(N(C)[C@@H](CC5=CC=C(O)C=C5)C(N[C@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCNC(C)C)C(N6CCC[C@H]6C(N[C@H](C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.OC(C)=O
ABBV-075
CAS:1445993-26-9
Formula: C22H19F2N3O4S
21033
O=S(NC1=CC=C(OC2=CC=C(F)C=C2F)C(C3=CN(C)C(C4=C3C=CN4)=O)=C1)(CC)=O
ABBV-744
CAS:2138861-99-9
Formula: C28H30FN3O4
30470
CC(C)(O)C1=CC=C(OC2=C(C)C=C(F)C=C2C)C(C3=CN(C)C(C4=C3C=C(C(NCC)=O)N4)=O)=C1
ABBV-CLS-484 (hydrochloride)
Formula: C17H24FN3O4S • XHCl
40169
O=C(NS1(=O)=O)CN1C2=C(O)C=C3CC[C@H](CC3=C2F)NCCC(C)C.Cl
ABC294640
CAS:915385-81-8
Formula: C23H25ClN2O
10587
O=C(NCC1=CC=NC=C1)[C@]23C[C@](C[C@H](C4)C3)(C5=CC=C(Cl)C=C5)C[C@@H]4C2
ABC34
CAS:1831135-56-8
Formula: C31H33N5O6
19385
O=C1N(OC(N2CCN(C3=CC=C(OC)C=C3)CC2)=O)C(N4CCN(CC5=CC=C(OC6=CC=CC=C6)C=C5)CC41)=O
ABC99
CAS:2331255-53-7
Formula: C22H21ClN4O5
25858
ClC1=CC=C(CN2CC(C(N(OC(N3C(C=CC=C4)=C4OCC3)=O)C5=O)=O)N5CC2)C=C1
ABD-F
CAS:91366-65-3
Formula: C6H4FN3O3S
38892
O=S(N)(C1=CC=C(C2=NON=C21)F)=O
ABD459
CAS:1047670-51-8
Formula: C24H17BrCl2N2O2
20003
O=C(C1=NN(C2=C(Cl)C=C(Cl)C=C2)C(C3=CC=C(Br)C=C3)=C1C)C4=CC=C(OC)C=C4
ABIETIC ACID
CAS:514-10-3
Formula: C20H30O2
24927
CC(C)C1=CC2=CC[C@@]3([H])[C@](C)(C(O)=O)CCC[C@]3(C)[C@@]2([H])CC1
ABIRATERONE
CAS:154229-19-3
Formula: C24H31NO
9.00277e+006
O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC=C4C5=CN=CC=C5
ABIRATERONE ACETATE
CAS:154229-18-2
Formula: C26H33NO2
15148
C[C@]12C(C[C@@H](OC(C)=O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC=C4C5=CC=CN=C5
ABIRATERONE ACETATE-D4
CAS:2122245-63-8
Formula: C26H29D4NO2
22096
C[C@]12C(C[C@@H](OC(C)=O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC=C4C5=C([2H])N=C([2H])C([2H])=C5[2H]
ABK
CAS:1253643-88-7
Formula: C11H20N4O4
38895
O=C(O)[C@@H](N)CCCCNC(OCCC1(N=N1)C)=O
Abl Substrate Peptide (trifluoroacetate salt)
Formula: C64H101N15O16 • XCF3COOH
36969
NCCCC[C@@H](C(O)=O)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](CC1=CC=CC=C1)NC([C@H]2N(CCC2)C([C@H](C)NC([C@H](C)NC([C@@H](NC([C@H]([C@@H](C)CC)NC([C@H](C)NC([C@@H](N)CCC(O)=O)=O)=O)=O)CC3=CC=C(C=C3)O)=O)=O)=O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
ABNORMAL CANNABIVARIN
Formula: C19H22O2
36919
CC(C=C1)=CC2=C1C(C)(C)OC3=C2C(CCC)=CC(O)=C3
ABO (HYDROCHLORIDE)
CAS:2309172-24-3
Formula: C9H12N2O2 • 2HCl
21515
NC1=CC=C(OCC(CO)N2)C2=C1.Cl.Cl
ABP 688
CAS:924298-51-1
Formula: C15H16N2O
30929
CC1=CC=CC(C#CC(CCC/2)=CC2=N\OC)=N1
ABROCITINIB
CAS:1622902-68-4
Formula: C14H21N5O2S
34869
CN([C@H]1C[C@H](C1)NS(CCC)(=O)=O)C2=C3C(NC=C3)=NC=N2
ABT-199
CAS:1257044-40-8
Formula: C45H50ClN7O7S
16233
ClC1=CC=C(C2=C(CN3CCN(C4=CC(OC5=CN=C(NC=C6)C6=C5)=C(C(NS(C7=CC([N+]([O-])=O)=C(NCC8CCOCC8)C=C7)(=O)=O)=O)C=C4)CC3)CCC(C)(C)C2)C=C1
ABT-263
CAS:923564-51-6
Formula: C47H55ClF3N5O6S3
11500
O=C(NS(C1=CC(S(=O)(C(F)(F)F)=O)=C(N[C@H](CCN2CCOCC2)CSC3=CC=CC=C3)C=C1)(=O)=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4
ABT-263-D8
CAS:1217620-38-6
Formula: C47H47ClD8F3N5O6S3
34694
CC(C)(C1)CCC(C2=CC=C(C=C2)Cl)=C1CN3CCN(C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(C(F)(F)F)(=O)=O)=C(C=C5)N[C@@H](CSC6=CC=CC=C6)CCN7C([2H])([2H])C([2H])([2H])OC([2H])([2H])C7([2H])[2H])=O)=O)CC3
ABT-333
CAS:1132935-63-7
Formula: C26H27N3O5S
18482
CC(C)(C)C1=C(OC)C(C2=CC3=CC=C(NS(C)(=O)=O)C=C3C=C2)=CC(N4C=CC(NC4=O)=O)=C1
ABT-594 (HYDROCHLORIDE)
CAS:203564-54-9
Formula: C9H11ClN2O • HCl
22822
ClC1=CC=C(OC[C@@H]2NCC2)C=N1.Cl
ABT-639
CAS:1235560-28-7
Formula: C20H20ClF2N3O3S
28742
FC1=C(S(NC2=CC=CC=C2F)(=O)=O)C=C(C(N3CCN(CCC4)[C@@]4([H])C3)=O)C(Cl)=C1
ABT-724 (HYDROCHLORIDE)
CAS:587870-77-7
Formula: C17H19N5 • 3HCl
29506
C12=CC=CC=C1NC(CN3CCN(C4=NC=CC=C4)CC3)=N2.Cl.Cl.Cl
ABT-737
CAS:852808-04-9
Formula: C42H45ClN6O5S2
11501
O=C(NS(C1=CC([N+]([O-])=O)=C(N[C@H](CCN(C)C)CSC2=CC=CC=C2)C=C1)(=O)=O)C3=CC=C(N4CCN(CC5=C(C6=CC=C(Cl)C=C6)C=CC=C5)CC4)C=C3
ABT-751
CAS:141430-65-1
Formula: C18H17N3O4S
22935
COC1=CC=C(S(NC2=CC=CN=C2NC3=CC=C(O)C=C3)(=O)=O)C=C1
ABT-869
CAS:796967-16-3
Formula: C21H18FN5O
13653
NC1=NNC2=C1C(C3=CC=C(NC(NC4=C(F)C=CC(C)=C4)=O)C=C3)=CC=C2
ABT-888 (HYDROCHLORIDE)
CAS:912445-05-7
Formula: C13H16N4O • 2HCl
11505
NC(C1=CC=CC2=C1N=C([C@@]3(NCCC3)C)N2)=O.Cl.Cl
ABTS (AMMONIUM SALT)
CAS:30931-67-0
Formula: C18H16N4O6S4 • 2NH4
27317
[O-]S(C1=CC=C(N(CC)/C(S2)=N/N=C3SC(C=C(S([O-])(=O)=O)C=C4)=C4N\3CC)C2=C1)(=O)=O.[NH4+].[NH4+]
ABX-464
CAS:1258453-75-6
Formula: C16H10ClF3N2O
39515
FC(F)(OC1=CC=C(NC2=CC=C3C=CC=C(Cl)C3=N2)C=C1)F
Abz-Ala-Pro-Glu-Glu-Ile-Met-Arg-Arg-Gln-EDDnp (trifluoroacetate salt)
Formula: C61H93N21O19S • XCF3COOH
16467
NC1=C(C=CC=C1)C(N[C@H](C(N2CCC[C@H]2C(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(NCCNC3=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C3)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCSC)=O)[C@@H](C)CC)=O)CCC(O)=O)=O)CCC(O)=O)=O)=O)C)=O.OC(C(F)(
ABZ-VAL-ALA-ASP-NVA-ARG-ASP-ARG-GLN-EDDNP (TRIFLUOROACETATE SALT)
Formula: C53H80N20O18 • XCF3COOH
9.00202e+006
O=C(NCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCC)NC([C@@H](NC([C@@H](NC([C@@H](NC(C2=CC=CC=C2N)=O)C(C)C)=O)C)=O)CC(O)=O)=O)=O)CCCNC(N)=N)=O)CC(O)=O)=O)CCCNC(N)=N)=O)CCC(N)=O.FC(F)(C(O)=O)F
AC 187 (trifluoroacetate salt)
Formula: C127H205N37O40 • XCF3COOH
35839
OC(CC[C@H](NC([C@H](CCC(N)=O)NC([C@H](CO)NC([C@@H](NC([C@H](CCCCN[H])NC(CNC([C@@H](NC([C@H](C(C)C)NC(C)=O)=O)CC(C)C)=O)=O)=O)CC(C)C)=O)=O)=O)C(N[C@H](C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CCCCN[H])C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@]([H])([C@@H](C)O)C(N[C@@H](CC
AC-186
CAS:1421854-16-1
Formula: C18H17F3O
33526
FC1(F)CCC(C2=CC=C(O)C=C2)(C3=CC=CC=C3F)CC1
AC-262536
CAS:870888-46-3
Formula: C18H18N2O
31598
O[C@@H]1C[C@H]2N(C3=CC=C(C#N)C4=C3C=CC=C4)[C@@H](C1)CC2
AC-264613
CAS:1051487-82-1
Formula: C19H18BrN3O2
28777
BrC1=CC(/C(C)=N/NC([C@@H]2C(NC[C@@]2([H])C3=CC=CC=C3)=O)=O)=CC=C1
AC-265347
CAS:1253901-26-6
Formula: C17H17NOS
30937
CC1=CC(C)=CC=C1C(C)(O)C2=NC3=CC=CC=C3S2
AC-5216
CAS:226954-04-7
Formula: C23H23N5O2
18522
O=C(N1C)N(CC(N(CC)CC2=CC=CC=C2)=O)C3=C1C=NC(C4=CC=CC=C4)=N3
AC-55541
CAS:916170-19-9
Formula: C25H20BrN5O3
17736
O=C1C2=CC=CC=C2C(C(NC(C3=CC=CC=C3)=O)C(N/N=C(C)/C4=CC=CC(Br)=C4)=O)=NN1
AC-710
CAS:1351522-04-7
Formula: C31H42N6O4
29498
CCN1C(C)(C)CC(OC2=CC=C(C(NC3=CC=C(NC(NC4=NOC(C(C)(C)C)=C4)=O)C=C3)=O)N=C2)CC1(C)C
AC-AAVALLPAVLLALLAP-DEVD-CHO (TRIFLUOROACETATE SALT)
Formula: C94H158N20O27 • XCF3COOH
27427
CC(C)[C@@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H](C)C(N[C@H](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)C(N2CCC[C@H]2C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC(O)=O)C=O)=O)C(C)C)=O)CCC(O)=O)=O)=O)=O)=O)CC(C)C)=O)CC(C)
AC-AAVALLPAVLLALLAP-IETD-CHO (TRIFLUOROACETATE SALT)
Formula: C95H162N20O26 • XCF3COOH
27438
CC(C)[C@@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H](C)C(N[C@H](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)C(N2CCC[C@H]2C(N[C@]([H])(C(N[C@H](C(N[C@]([H])(C(N[C@@H](CC(O)=O)C=O)=O)[C@H](O)C)=O)CCC(O)=O)=O)[C@@H](C)CC)=O)=O)=O)
AC-AAVALLPAVLLALLAP-VAD-CHO (TRIFLUOROACETATE SALT)
Formula: C88H151N19O22 • XCF3COOH
27425
O=C(C)N[C@@H](C)C(N[C@@H](C)C(N[C@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H](C)C(N[C@H](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)C(N2CCC[C@H]2C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C=O)=O)=O)C(C)C)=O)=O)=O)CC(C)C)=O)CC(C)C)
AC-ANW-AMC
Formula: C30H32N6O7
26640
O=C1C=C(C)C2=C(C=C(NC([C@H](CC3=CNC4=C3C=CC=C4)NC([C@H](CC(N)=O)NC([C@H](C)NC(C)=O)=O)=O)=O)C=C2)O1
AC-ASP(OTBU)-OH
CAS:117833-18-8
Formula: C10H17NO5
30539
CC(C)(C)OC(C[C@H](NC(C)=O)C(O)=O)=O
AC-CALPASTATIN (184-210)
CAS:79079-11-1
Formula: C142H230N36O44S
16501
NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCC(O)=O)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H](CCCCN)NC([C@@H]1CCCN1C([C@@H]2CCCN2C([C@@]([C@H](CC)C)([H])NC([C@@]([C@@H](C)O)([H])NC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCCN)NC(C
AC-DEVD-AFC
CAS:201608-14-2
Formula: C30H34F3N5O13
14459
CC(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(NC1=CC(OC(C=C2C(F)(F)F)=O)=C2C=C1)=O)=O)=O)CCC(O)=O)=O)=O
AC-DEVD-AMC
CAS:169332-61-0
Formula: C30H37N5O13
14986
CC(C1=CC=C(C=C1O2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)NC(C)=O)=O)CCC(O)=O)=O)C(C)C)=O)CC(O)=O)=O)=CC2=O
AC-DEVD-CHO (TRIFLUOROACETATE SALT)
Formula: C20H30N4O11 • XCF3COOH
10017
CC(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C([H])=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
AC-DEVD-CMK (TRIFLUOROACETATE SALT)
Formula: C21H31ClN4O11 • XCF3COOH
14465
CC(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(CCl)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
AC-DEVD-PNA
CAS:189684-50-2
Formula: C26H34N6O13
14460
CC(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(NC1=CC=C([N+]([O-])=O)C=C1)=O)C(O)=O)=O)=O)=O)=O
AC-DMQD-AMC (TRIFLUOROACETATE SALT)
Formula: C30H38N6O12S • XCF3COOH
27428
O=C(NC1=CC=C(C(C)=CC(O2)=O)C2=C1)[C@@H](NC([C@@H](NC([C@H](CCSC)NC([C@@H](NC(C)=O)CC(O)=O)=O)=O)CCC(N)=O)=O)CC(O)=O.FC(F)(C(O)=O)F
AC-DMQD-CHO (TRIFLUOROACETATE SALT)
Formula: C20H31N5O10S • XCF3COOH
27103
NC(CC[C@H](NC([C@H](CCSC)NC([C@@H](NC(C)=O)CC(O)=O)=O)=O)C(N[C@H](C=O)CC(O)=O)=O)=O.FC(F)(C(O)=O)F
AC-DNLD-AMC
CAS:958001-92-8
Formula: C30H38N6O12
24566
CC(C1=CC=C(C=C1O2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)NC(C)=O)=O)CC(N)=O)=O)CC(C)C)=O)CC(O)=O)=O)=CC2=O
AC-ESMD-CHO (TRIFLUOROACETATE SALT)
Formula: C19H30N4O10S • XCF3COOH
27135
OC(CC[C@H](NC(C)=O)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C=O)CC(O)=O)=O)CCSC)=O)=O)=O.FC(F)(C(O)=O)F
AC-FLTD-CMK (TRIFLUOROACETATE SALT)
Formula: C26H37ClN4O8 • XCF3COOH
34469
ClCC([C@H](CC(O)=O)NC([C@H]([C@H](O)C)NC([C@H](CC(C)C)NC([C@@H](NC(C)=O)CC1=CC=CC=C1)=O)=O)=O)=O.FC(F)(F)C(O)=O
AC-GLY-LYS-OME (ACETATE)
CAS:14752-92-2
Formula: C11H21N3O4 • C2H4O2
30568
NCCCC[C@H](NC(CNC(C)=O)=O)C(OC)=O.CC(O)=O
AC-IEPD-AMC (TRIFLUOROACETATE SALT)
Formula: C32H41N5O11• XCF3COOH
27140
O=C(C)N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H](CC(O)=O)C(NC2=CC=C(C(C)=CC(O3)=O)C3=C2)=O)=O)=O)CCC(O)=O)=O)[C@@H](C)CC.FC(F)(C(O)=O)F
AC-IEPD-PNA (TRIFLUOROACETATE SALT)
Formula: C28H38N6O11 • XCF3COOH
27139
O=C(C)N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H](CC(O)=O)C(NC2=CC=C([N+]([O-])=O)C=C2)=O)=O)=O)CCC(O)=O)=O)[C@@H](C)CC.FC(F)(C(O)=O)F
AC-IETD-AFC (TRIFLUOROACETATE SALT)
Formula: C31H38F3N5O12 • XCF3COOH
17480
OC(C[C@H](NC(C(NC([C@@H](NC([C@H]([C@@H](C)CC)NC(C)=O)=O)CCC(O)=O)=O)[C@@H](C)O)=O)C(NC(C=C1O2)=CC=C1C(C(F)(F)F)=CC2=O)=O)=O.OC(C(F)(F)F)=O
AC-IETD-CHO (TRIFLUOROACETATE SALT)
Formula: C21H34N4O10 • XCF3COOH
27100
C[C@@H](O)[C@@H](C(N[C@@H](CC(O)=O)C=O)=O)NC([C@@H](NC([C@H]([C@@H](C)CC)NC(C)=O)=O)CCC(O)=O)=O.FC(F)(C(O)=O)F
AC-IETD-PNA
CAS:219138-21-3
Formula: C27H38N6O12
24568
O=C([C@@H](NC([C@H]([C@H](CC)C)NC(C)=O)=O)CCC(O)=O)N[C@H](C(N[C@H](C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)CC(O)=O)=O)[C@@H](C)O
AC-LEHD-AFC (TRIFLUOROACETATE SALT)
Formula: C33H38F3N7O11 • XCF3COOH
17051
O=C([C@H](CC1=CNC=N1)NC([C@H](CCC(O)=O)NC([C@H](CC(C)C)NC(C)=O)=O)=O)N[C@H](C(NC2=CC=C3C(C(F)(F)F)=CC(OC3=C2)=O)=O)CC(O)=O.FC(F)(C(O)=O)F
AC-LEHD-AMC (TRIFLUOROACETATE SALT)
Formula: C33H41N7O11 • XCF3COOH
24569
CC(C1=CC=C(C=C1O2)NC([C@@H](NC([C@H](CC3=CN=CN3)NC([C@@H](NC([C@H](CC(C)C)NC(C)=O)=O)CCC(O)=O)=O)=O)CC(O)=O)=O)=CC2=O.FC(F)(C(O)=O)F
AC-LEHD-PNA (TRIFLUOROACETATE SALT)
Formula: C29H38N8O11 • XCF3COOH
24570
CC(C)C[C@@H](C(N[C@H](C(N[C@@H](CC1=CN=CN1)C(N[C@@H](CC(NC2=CC=C([N+]([O-])=O)C=C2)=O)C(O)=O)=O)=O)CCC(O)=O)=O)NC(C)=O.OC(C(F)(F)F)=O
AC-LETD-AFC
CAS:210345-02-1
Formula: C31H38F3N5O12
14991
OC(C[C@H](NC(C(NC([C@@H](NC([C@H](CC(C)C)NC(C)=O)=O)CCC(O)=O)=O)[C@@H](C)O)=O)C(NC(C=C1O2)=CC=C1C(C(F)(F)F)=CC2=O)=O)=O
AC-LEVD-AFC
CAS:1092077-23-0
Formula: C32H40F3N5O11
28809
CC(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(NC1=CC=C(C(C(F)(F)F)=CC(O2)=O)C2=C1)=O)=O)=O)=O)=O
AC-LEVD-CHO (TRIFLUOROACETATE SALT)
Formula: C22H36N4O9 • XCF3COOH
27433
CC(C)[C@@H](C(N[C@H](C=O)CC(O)=O)=O)NC([C@H](CCC(O)=O)NC([C@@H](NC(C)=O)CC(C)C)=O)=O.FC(F)(C(O)=O)F
AC-NLE-PRO-NLE-ASP-AMC (TRIFLUOROACETATE SALT)
Formula: C33H45N5O9 • XCF3COOH
21639
O=C1C=C(C2=C(O1)C=C(C=C2)NC([C@@H](NC([C@@H](NC([C@@H]3CCCN3C([C@@H](NC(C)=O)CCCC)=O)=O)CCCC)=O)CC(O)=O)=O)C.OC(C(F)(F)F)=O
AC-PAL-AMC
CAS:1431362-79-6
Formula: C26H34N4O6
26592
CC(C1=CC=C(NC([C@H](CC(C)C)NC([C@H](C)NC([C@@H]2CCCN2C(C)=O)=O)=O)=O)C=C1O3)=CC3=O
AC-QPKK(AC)-AMC
CAS:1387005-23-3
Formula: C36H52N8O9
30790
NCCCC[C@@H](C(N[C@H](C(NC1=CC=C(C(C)=CC(O2)=O)C2=C1)=O)CCCCNC(C)=O)=O)NC([C@@H]3CCCN3C([C@H](CCC(N)=O)NC(C)=O)=O)=O
AC-QQQ-AMC (HYDROCHLORIDE)
Formula: C27H35N7O9 • XHCl
27711
NC(CC[C@@H](C(N[C@H](C(N[C@H](C(NC1=CC(OC(C=C2C)=O)=C2C=C1)=O)CCC(N)=O)=O)CCC(N)=O)=O)NC(C)=O)=O.Cl
AC-RLR-AMC (TRIFLUOROACETATE SALT)
Formula: C30H46N10O6 • XCF3COOH
26643
CC(C1=CC=C(NC([C@@H](NC([C@H](CC(C)C)NC([C@@H](NC(C)=O)CCCNC(N)=N)=O)=O)CCCNC(N)=N)=O)C=C1O2)=CC2=O.OC(C(F)(F)F)=O
Ac-VDVAD-AFC (trifluoroacetate salt)
Formula: C33H41F3N6O12 • XCF3COOH
37351
OC(C[C@H](NC([C@H](C)NC([C@@H](NC([C@H](CC(O)=O)NC([C@@H](NC(C)=O)C(C)C)=O)=O)C(C)C)=O)=O)C(NC(C=C1O2)=CC=C1C(C(F)(F)F)=CC2=O)=O)=O.OC(C(F)(F)F)=O
AC-VDVAD-CHO (TRIFLUOROACETATE SALT)
Formula: C23H37N5O10 • XCF3COOH
27136
OC(C[C@H](NC([C@H](C)NC([C@@H](NC([C@H](CC(O)=O)NC([C@@H](NC(C)=O)C(C)C)=O)=O)C(C)C)=O)=O)C=O)=O.FC(F)(C(O)=O)F
AC-VDVAD-PNA (TRIFLUOROACETATE SALT)
Formula: C29H41N7O12 • XCF3COOH
27134
O=C(O)C[C@H](NC([C@H](C)NC([C@@H](NC([C@H](CC(O)=O)NC([C@@H](NC(C)=O)C(C)C)=O)=O)C(C)C)=O)=O)C(NC(C=C1)=CC=C1[N+]([O-])=O)=O.FC(F)(C(O)=O)F
AC-VEID-AMC (AMMONIUM ACETATE SALT)
Formula: C32H43N5O11 • XC2H7NO2
14989
CC(C1=CC=C(C=C1O2)NC([C@@H](NC(C(NC([C@@H](NC([C@@H](NC(C)=O)C(C)C)=O)CCC(O)=O)=O)[C@H](CC)C)=O)CC(O)=O)=O)=CC2=O.CC([O-])=O.[NH4+]
AC-VEID-CHO (TRIFLUOROACETATE SALT)
Formula: C22H36N4O9 • XCF3COOH
27437
OC(C[C@H](NC([C@H]([C@@H](C)CC)NC([C@@H](NC([C@H](C(C)C)NC(C)=O)=O)CCC(O)=O)=O)=O)C=O)=O.FC(F)(C(O)=O)F
AC-VEID-PNA (TRIFLUOROACETATE SALT)
Formula: C28H40N6O11 • XCF3COOH
27104
O=C(NC1=CC=C(C=C1)[N+]([O-])=O)[C@H](CC(O)=O)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](C(C)C)NC(C)=O)=O)=O)[C@H](CC)C)=O.FC(F)(C(O)=O)F
AC-WEAD-AMC (TRIFLUOROACETATE SALT)
Formula: C35H38N6O11 • XCF3COOH
27423
O=C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(NC3=CC(OC(C=C4C)=O)=C4C=C3)=O)=O)=O)CCC(O)=O)=O)C.FC(F)(C(O)=O)F
AC-WEAD-PNA (TRIFLUOROACETATE SALT)
Formula: C31H35N7O11 • XCF3COOH
27424
O=C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(NC3=CC=C([N+]([O-])=O)C=C3)=O)=O)=O)CCC(O)=O)=O)C.FC(F)(C(O)=O)F
AC-WEHD-AFC (TRIFLUOROACETATE SALT)
Formula: C38H37F3N8O11 • XCF3COOH
14992
OC(C[C@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CNC2=C1C=CC=C2)NC(C)=O)=O)CCC(O)=O)=O)CC3=CNC=N3)=O)C(NC(C=C4O5)=CC=C4C(C(F)(F)F)=CC5=O)=O)=O.FC(F)(C(O)=O)F
AC-WLA-AMC
CAS:1104011-59-7
Formula: C32H37N5O6
26639
O=C1C=C(C)C2=C(C=C(NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CC3=CNC4=C3C=CC=C4)NC(C)=O)=O)=O)C)=O)C=C2)O1
AC-YVAD-AFC
CAS:219137-85-6
Formula: C33H36F3N5O10
17591
O=C([C@H](C)NC([C@H](C(C)C)NC([C@H](CC1=CC=C(O)C=C1)NC(C)=O)=O)=O)N[C@H](C(NC2=CC=C3C(C(F)(F)F)=CC(OC3=C2)=O)=O)CC(O)=O
AC-YVAD-CHO
CAS:143313-51-3
Formula: C23H32N4O8
10016
CC(N([H])[C@@H](CC1=CC=C(O)C=C1)C(N([H])[C@@H](C(C)C)C(N([H])[C@@H](C)C(N([H])[C@@H](CC(O)=O)C([H])=O)=O)=O)=O)=O
AC-YVAD-CMK
CAS:178603-78-6
Formula: C24H33ClN4O8
10014
ClCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)Cc1ccc(O)cc1)C(C)C
AC-YVAD-PNA (TRIFLUOROACETATE SALT)
Formula: C29H36N6O10 • XCF3COOH
17487
O=C([C@@H](NC([C@H](C)NC([C@H](C(C)C)NC([C@@H](NC(C)=O)CC1=CC=C(O)C=C1)=O)=O)=O)CC(O)=O)NC2=CC=C([N+]([O-])=O)C=C2.OC(C(F)(F)F)=O
AC1903
CAS:831234-13-0
Formula: C19H17N3O
25324
C12=CC=CC=C1N=C(NCC3=CC=CO3)N2CC4=CC=CC=C4
AC2-26 (HUMAN) (AMMONIUM SALT)
Formula: C141H210N32O44S • NH4
34429
OC(C=C1)=CC=C1C[C@@H](C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@H](C(O)=O)CCCCN)=O)=O)=O)=O)=O)NC([C@H](CCC(O)=O)NC([C@H](CCC(N)=O)NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC([C@H](CC(N)=O)NC([C@H](CCC(O)=O)NC([C@H]([C@@H](C)
AC480
CAS:714971-09-2
Formula: C27H27FN8O3
29657
CC(C(NC(OC[C@H]1NCCOC1)=O)=C2)=C3N2N=CN=C3NC4=CC=C5C(C=NN5CC6=CC(F)=CC=C6)=C4
AC4GALNAZ
CAS:653600-56-7
Formula: C16H22N4O10
39653
CC(O[C@@H]1[C@H](C(O[C@@H]([C@@H]1OC(C)=O)COC(C)=O)OC(C)=O)NC(CN=[N+]=[N-])=O)=O
AC4MANNAZ
CAS:361154-30-5
Formula: C16H22N4O10
36283
CC(O[C@@H]1[C@@H](C(O[C@@H]([C@H]1OC(C)=O)COC(C)=O)OC(C)=O)NC(CN=[N+]=[N-])=O)=O
ACACETIN
CAS:480-44-4
Formula: C16H12O5
20827
OC1=CC(O)=C(C(C=C(C2=CC=C(OC)C=C2)O3)=O)C3=C1
ACALABRUTINIB
CAS:1420477-60-6
Formula: C26H23N7O2
19899
O=C(NC1=CC=CC=N1)C(C=C2)=CC=C2C3=C(C(N)=NC=C4)N4C([C@@H]5CCCN5C(C#CC)=O)=N3
ACALISIB
CAS:870281-34-8
Formula: C21H16FN7O
25983
C[C@@H](C1=NC(C=CC(F)=C2)=C2C(N1C3=CC=CC=C3)=O)NC4=C5C(N=CN5)=NC=N4
ACAMPROSATE (CALCIUM SALT)
CAS:77337-73-6
Formula: C5H10NO4S • 1/2Ca
23899
[O-]S(CCCNC(C)=O)(=O)=O.[O-]S(CCCNC(C)=O)(=O)=O.[Ca+2]
ACAMPROSATE-D3 (CALCIUM SALT)
CAS:1225580-94-8
Formula: C5H7D3NO4S • 1/2Ca
26780
[O-]S(CCCNC(C([2H])([2H])[2H])=O)(=O)=O.[Ca+2]
ACANTHOSIDE B
CAS:7374-79-0
Formula: C28H36O13
40280
[H][C@]12CO[C@H](C3=CC(OC)=C(O)C(OC)=C3)[C@@](CO[C@@H]2C4=CC(OC)=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(OC)=C4)1[H]
ACARBOSE
CAS:56180-94-0
Formula: C25H43NO18
11885
O=C[C@H](O)[C@@H](O)[C@]([C@H](O)CO)([H])O[C@H]([C@H](O)[C@H]1O)O[C@H](CO)[C@@]1([H])O[C@@H](O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]2N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O
ACBI1
CAS:2375564-55-7
Formula: C49H58FN9O7S
36612
NC1=C(N2CCN(CC2)CC3=CC=C(C=C3)OCCOC4=C(C=CC(C5=C(N=CS5)C)=C4)CNC([C@H]6N(C[C@@H](C6)O)C([C@H](C(C)(C)C)NC(C7(CC7)F)=O)=O)=O)C=C(C8=C(C=CC=C8)O)N=N1
ACEBILUSTAT
CAS:943764-99-6
Formula: C29H27N3O4
33270
OC(C(C=C1)=CC=C1CN(C2)[C@H](C3)C[C@@H]2N3CC4=CC=C(C=C4)OC5=CC=C(C6=NC=CO6)C=C5)=O
ACEBUTOLOL
CAS:37517-30-9
Formula: C18H28N2O4
36534
O=C(CCC)NC1=CC=C(C(C(C)=O)=C1)OCC(CNC(C)C)O
ACEBUTOLOL-D7
CAS:2701782-36-5
Formula: C18H21D7N2O4
35557
O=C(CCC)NC1=CC(C(C)=O)=C(OCC(CNC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])O)C=C1
ACECAINIDE (HYDROCHLORIDE)
CAS:34118-92-8
Formula: C15H23N3O2 • HCl
27312
CC(NC1=CC=C(C(NCCN(CC)CC)=O)C=C1)=O.Cl
ACEFYLLINE
CAS:652-37-9
Formula: C9H10N4O4
33996
O=C(CN1C=NC2=C1C(N(C)C(N2C)=O)=O)O
ACENAPHTHENE-D10
CAS:15067-26-2
Formula: C12D10
38968
[2H]C1=C([2H])C([2H])=C2C([2H])=C([2H])C([2H])=C3C([2H])([2H])C([2H])([2H])C1=C32
ACENOCOUMAROL
CAS:152-72-7
Formula: C19H15NO6
1.00106e+007
CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c1c(=O)oc2ccccc2c1O
ACENOCOUMAROL-D4
CAS:2937878-24-3
Formula: C19H11D4NO6
35477
OC(C1=CC=CC=C1O2)=C(C(CC(C)=O)C3=C([2H])C([2H])=C([N+]([O-])=O)C([2H])=C3[2H])C2=O
ACEPHATE
CAS:30560-19-1
Formula: C4H10NO3PS
24038
CC(NP(OC)(SC)=O)=O
ACEPHATE-D3
CAS:2140327-70-2
Formula: C4H7D3NO3PS
39579
O=C(C([2H])([2H])[2H])NP(OC)(SC)=O
ACEPROMAZINE (MALEATE)
CAS:3598-37-6
Formula: C19H22N2OS • C4H4O4
27821
CN(C)CCCN1C2=C(C=CC(C(C)=O)=C2)SC3=CC=CC=C31.OC(/C=C\C(O)=O)=O
ACEQUINOCYL-D25
CAS:2469735-25-7
Formula: C24H7D25O4
39589
O=C1C2=CC=CC=C2C(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])C([2H])([2H])C([2H])([2H])[2H])=C1OC(C)=O)=O
ACESULFAME (POTASSIUM SALT)
CAS:55589-62-3
Formula: C4H4NO4S • K
33356
O=C1C=C(C)OS(=O)([N-]1)=O.[K+]
ACESULFAME-D4 (POTASSIUM SALT)
CAS:1623054-53-4
Formula: C4D4NO4S • K
27786
O=S1(OC(C([2H])([2H])[2H])=C([2H])C([N-]1)=O)=O.[K+]
ACETAMINOPHEN
CAS:103-90-2
Formula: C8H9NO2
10024
OC1=CC=C(NC(C)=O)C=C1
ACETAMINOPHEN GLUCURONIDE (SODIUM SALT)
CAS:120595-80-4
Formula: C14H16NO8 • Na
27850
CC(NC1=CC=C(O[C@@H]2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)C=C1)=O.[Na+]
ACETAMINOPHEN SULFATE (POTASSIUM SALT)
CAS:32113-41-0
Formula: C8H8NO5S • K
22571
CC(NC1=CC=C(OS([O-])(=O)=O)C=C1)=O.[K+]
ACETAMINOPHEN-D4
CAS:64315-36-2
Formula: C8H5D4NO2
18245
OC1=C([2H])C([2H])=C(NC(C)=O)C([2H])=C1[2H]
ACETAZOLAMIDE
CAS:59-66-5
Formula: C4H6N4O3S2
21218
NS(C1=NN=C(NC(C)=O)S1)(=O)=O
ACETAZOLAMIDE-D3
CAS:1189904-01-5
Formula: C4H3D3N4O3S2
40125
NS(C1=NN=C(NC(C([2H])([2H])[2H])=O)S1)(=O)=O
ACETILDENAFIL
CAS:831217-01-7
Formula: C25H34N6O3
12049
CCN1CCN(CC(C2=CC(C3=NC(C(CCC)=NN4C)=C4C(N3)=O)=C(OCC)C=C2)=O)CC1
ACETOACETYL-COENZYME A (SODIUM SALT HYDRATE)
Formula: C25H37N7O18P3S • 3Na [4H2O]
21219
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(CC(C)=O)=O)=O)=O)([O-])=O)([O-])=O)[C@H]1OP(O)([O-])=O.[Na+].[Na+].[Na+].O.O.O.O
ACETOCHLOR
CAS:34256-82-1
Formula: C14H20ClNO2
24131
CC1=CC=CC(CC)=C1N(COCC)C(CCl)=O
ACETOHEXAMIDE
CAS:968-81-0
Formula: C15H20N2O4S
23900
O=C(C)C1=CC=C(S(NC(NC2CCCCC2)=O)(=O)=O)C=C1
ACETOHYDROXAMIC ACID
CAS:546-88-3
Formula: C2H5NO2
23979
ONC(C)=O
ACETOMYCIN
CAS:510-18-9
Formula: C10H14O5
31410
O=C(C)O[C@@H]([C@@H](C)[C@@]1(C)C(C)=O)OC1=O
ACETOSYRINGONE
CAS:2478-38-8
Formula: C10H12O4
23224
COC1=C(O)C(OC)=CC(C(C)=O)=C1
ACETOXYMETHYLKETOBEMIDONE (HYDROCHLORIDE)
CAS:878766-13-3
Formula: C16H21NO3 • HCl
29786
CN1CCC(C(C)=O)(C2=CC=CC(OC(C)=O)=C2)CC1.Cl
ACETYL ANGIOTENSINOGEN (1-14) (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C85H124N24O20 • XCF3COOH
24987
O=C(C)N([H])[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@H](CC)C)([H])C(N[C@H](C(N[C@@H](CC(N)=O)C(O)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)CC3=CN=CN3
ACETYL DIPEPTIDE 1 CETYL ESTER (TRIFLUOROACETATE SALT)
Formula: C33H57N5O5 • XCF3COOH
34949
OC(C=C1)=CC=C1C[C@H](NC(C)=O)C(N[C@@H](CCCNC(N)=N)C(OCCCCCCCCCCCCCCCC)=O)=O.OC(C(F)(F)F)=O
ACETYL HEXAPEPTIDE-3 (ACETATE)
Formula: C34H60N14O12S • XC2H4O2
27756
OC(CC[C@H](NC(C)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N)=O)CCCNC(N)=N)=O)=O)=O)CCSC)=O)CCC(O)=O)=O)=O.CC(O)=O
ACETYL HEXAPEPTIDE-38 (TRIFLUOROACETATE SALT)
Formula: C30H56N10O9 • XCF3COOH
27258
O=C([C@H](CO)NC(C)=O)N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@]([H])([C@@H](C)O)C(N)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
ACETYL OCTAPEPTIDE-3
CAS:868844-74-0
Formula: C41H70N16O16S
27260
NC([C@@H](NC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCC(N)=O)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)N(C(C)=O)[H])=O)=O)CCSC)=O)=O)=O)=O)C)=O)CC(O)=O)=O
ACETYL PACAP (1-38) (HUMAN, MOUSE, OVINE, PORCINE, RAT) (TRIFLUOROACETATE SALT)
Formula: C205H333N63O54S • XCF3COOH
24774
NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=C(C=C1)O)NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H](C)NC([C@H](C)NC([C@@H](NC([C@H](CC2=CC=C(C=C2)O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C)NC([C@H](CCSC)NC([
ACETYL PENTAPEPTIDE-1
CAS:97530-32-0
Formula: C32H51N9O10
27261
CC(N([H])[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)=O)CC(O)=O)=O)=O)=O
ACETYL PODOCARPIC ACID ANHYDRIDE
CAS:344327-48-6
Formula: C38H46O7
1.00077e+007
CC(=O)Oc1ccc2CC[C@H]3[C@](C)(CCC[C@]3(C)c2c1)[C@@H](=O)O[C@H](=O)[C@@]1(C)CCC[C@]2(C)c3cc(ccc3CC[C@@H]12)OC(=O)C
ACETYL RESVERATROL
CAS:42206-94-0
Formula: C20H18O6
26379
CC(OC(C=C1)=CC=C1/C=C/C2=CC(OC(C)=O)=CC(OC(C)=O)=C2)=O
Acetyl ß-Endorphin (1-26) (human) (trifluoroacetate salt)
Formula: C132H210N32O39S • XCF3COOH
24954
O=C(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CCC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N1CCC[C@H]1C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CC(C)C)C(N
Acetyl ß-Endorphin (human) (trifluoroacetate salt)
Formula: C160H253N39O47S • XCF3COOH
24953
O=C(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CCC(N)=O)C(N[C@]([C@@H](C)O)([H])C(N1CCC[C@H]1C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@]([C@@H](C)O)([H])C(N[C@@H](CC(C)C)C(N
ACETYL TETRAPEPTIDE-15 (ACETATE)
Formula: C34H39N5O6 • XC2H4O2
35180
NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=CC=C2)NC([C@H]3N(CCC3)C([C@@H](NC(C)=O)CC4=CC=C(C=C4)O)=O)=O)=O)=O.CC(O)=O
Acetyl Tetrapeptide-3 (acetate)
Formula: C22H39N9O5• XC2H4O2
27151
O=C(N[C@@H](CC1=CN=CN1)C(N[C@@H](CCCCN)C(N)=O)=O)CNC([C@H](CCCCN)NC(C)=O)=O.OC(C)=O
ACETYL TETRAPEPTIDE-5
CAS:820959-17-9
Formula: C20H28N8O7
27152
OC([C@@H](NC([C@H](CO)NC([C@@H](NC(CCNC(C)=O)=O)CC1=CN=CN1)=O)=O)CC2=CN=CN2)=O
ACETYL TETRAPEPTIDE-9 (ACETATE)
Formula: C22H33N7O9 • XC2H4O2
35181
OC([C@H](CC1=CN=CN1)NC([C@H](C(C)C)NC([C@H](CC(O)=O)NC([C@@H](NC(C)=O)CCC(N)=O)=O)=O)=O)=O.CC(O)=O
ACETYL-6-FORMYLPTERIN
CAS:29769-49-1
Formula: C9H7N5O3
23303
CC(NC(N1)=NC(N=CC(C=O)=N2)=C2C1=O)=O
Acetyl-CoA Synthase Inhibitor
CAS:508186-14-9
Formula: C20H18N4O2S2
36023
O=C(NCCOC)NC1=CC2=C(N=C(C3=CC=CS3)C(C4=CC=CS4)=N2)C=C1
ACETYL-COENZYME A (SODIUM SALT)
CAS:918149-33-4
Formula: C23H38N7O17P3S • XNa
16160
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)=O)=O)=O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.[Na]
Acetyl-Coenzyme A-d3 (sodium salt)
Formula: C23H35D3N7O17P3S • XNa
40458
O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C([2H])([2H])[2H])=O)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2.[Na]
Acetyl-DL-carnitine (chloride)
CAS:2504-11-2
Formula: C9H18NO4 • Cl
31015
OC(CC(OC(C)=O)C[N+](C)(C)C)=O.[Cl-]
ACETYL-L-CARNITINE (CHLORIDE)
CAS:5080-50-2
Formula: C9H18NO4 • Cl
16948
OC(C[C@@H](OC(C)=O)C[N+](C)(C)C)=O.[Cl-]
ACETYL-L-CARNITINE-D3 (CHLORIDE)
CAS:362049-62-5
Formula: C9H15D3NO4 • Cl
26564
OC(C[C@@H](OC(C([2H])([2H])[2H])=O)C[N+](C)(C)C)=O.[Cl-]
ACETYL-L-HOMOSERINE LACTONE
CAS:51524-71-1
Formula: C6H9NO3
23241
O=C1OCC[C@@H]1NC(C)=O
Acetyl-ß-methylcholine (chloride)
CAS:62-51-1
Formula: C8H18NO2 • Cl
23092
CC(OC(C[N+](C)(C)C)C)=O.[Cl-]
ACETYLASZONALENIN
CAS:42230-55-7
Formula: C25H25N3O3
25207
O=C(C1=CC=CC=C1N2)N3[C@@](C[C@@]4(C(C)(C)C=C)[C@]3([H])N(C(C)=O)C5=C4C=CC=C5)([H])C2=O
ACETYLCHOLINE (CHLORIDE)
CAS:60-31-1
Formula: C7H16NO2 • Cl
23829
CC(OCC[N+](C)(C)C)=O.[Cl-]
ACETYLCIMIGENOL ARABINOSIDE
CAS:402513-88-6
Formula: C37H58O10
27596
CC1(C)[C@@H](O[C@]2([H])OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]3(C4)[C@@]1([H])CC[C@]5([H])[C@@]34CC[C@@]6(C)[C@@]5(C)[C@@H](O)C([C@]6([H])[C@@H](C[C@@H](OC(C)=O)[C@]7([H])OC7(C)C)C)=O
ACETYLDIGITOXIN
CAS:1111-39-3
Formula: C43H66O14
24024
C[C@@]12[C@@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@]3(O)CC[C@@H]4C(CO5)=CC5=O)([H])C[C@@H](O[C@]6([H])O[C@H](C)[C@@H](O[C@@]7([H])C[C@H](O)[C@H](O[C@]8([H])O[C@H](C)[C@@H](O)[C@@H](OC(C)=O)C8)[C@@H](C)O7)[C@@H](O)C6)CC1
ACETYLHARPAGIDE
CAS:6926-14-3
Formula: C17H26O11
39930
O[C@@]([C@@H]1O)(C=CO2)[C@]([C@](C)(C1)OC(C)=O)([H])[C@@H]2O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@H]3O)CO
ACETYLSHIKONIN
CAS:24502-78-1
Formula: C18H18O6
40144
O=C1C2=C(O)C=CC(O)=C2C(C=C1[C@@H](C/C=C(C)/C)OC(C)=O)=O
ACHMINACA
CAS:1400742-33-7
Formula: C25H33N3O
25006
O=C(NC12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C4=NN(CC5CCCCC5)C6=C4C=CC=C6
ACHP
CAS:406208-42-2
Formula: C21H24N4O2
14504
OC1=CC=CC(OCC2CC2)=C1C3=NC(N)=C(C#N)C(C4CCNCC4)=C3
ACIBENZOLAR-S-METHYL
CAS:135158-54-2
Formula: C8H6N2OS2
24212
O=C(SC)C1=CC=CC2=C1SN=N2
ACIFRAN
CAS:72420-38-3
Formula: C12H10O4
34556
O=C1C(C2=CC=CC=C2)(C)OC(C(O)=O)=C1
ACIPIMOX
CAS:51037-30-0
Formula: C6H6N2O3
26090
CC1=CN=C(C(O)=O)C=[N+]1[O-]
ACITRETIN
CAS:55079-83-9
Formula: C21H26O3
20853
CC1=C(OC)C=C(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)=C1C
ACITRETIN-D3
Formula: C21H23D3O3
28696
CC1=C(OC([2H])([2H])[2H])C=C(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)=C1C
ACIVICIN
CAS:42228-92-2
Formula: C5H7ClN2O3
14003
ClC1=NO[C@@]([C@H](N)C(O)=O)([H])C1
ACOLBIFENE
CAS:182167-02-8
Formula: C29H31NO4
23931
OC1=CC=C(C(C)=C(C2=CC=C(O)C=C2)[C@H](C3=CC=C(OCCN4CCCCC4)C=C3)O5)C5=C1
ACONINE
CAS:509-20-6
Formula: C25H41NO9
25048
CO[C@@H]1C2(C3N4CC)[C@@]([C@@H](OC)C3[C@]([C@@H](O)[C@H](OC)[C@]5(O)[C@@H]6O)(O)[C@]6([H])[C@]2(C5)[H])([H])[C@](COC)(C4)[C@H](O)C1
ACP-105
CAS:899821-23-9
Formula: C16H19ClN2O
40146
ClC1=C(C=CC(N2[C@](C[C@](O)(C)C[C@@]32[H])(CC3)[H])=C1C)C#N
ACPT-I
CAS:194918-76-8
Formula: C8H11NO6
78010
OC(=O)[C@H]1CC(N)(C[C@H]1C(=O)O)C(=O)O
ACPT-II
CAS:195209-04-2
Formula: C8H11NO6
78020
OC(=O)C1CC(N)(CC1C(=O)O)C(=O)O
ACREMINE F
CAS:863480-61-9
Formula: C12H20O4
33228
CC(C)(O)/C=C/C1=C[C@H](O)[C@](C)(O)C[C@@H]1O
ACREMINE I
CAS:1110661-29-4
Formula: C12H16O5
29771
O=C1[C@@]2(C)[C@@](O2)([H])[C@H](O)C([C@]3([H])[C@@H](C(C)(O)C)O3)=C1
ACRIDINE
CAS:260-94-6
Formula: C13H9N
35607
C1(N=C2C=CC=CC2=C3)=C3C=CC=C1
ACRIDINE ORANGE
CAS:494-38-2
Formula: C17H19N3
14338
CN(C)C1=CC(N=C(C=C(N(C)C)C=C2)C2=C3)=C3C=C1
ACRIDINE ORANGE 10-NONYL (BROMIDE)
CAS:75168-11-5
Formula: C26H38N3• Br
25545
CN(C)C1=CC2=[N+](CCCCCCCCC)C3=C(C=C2C=C1)C=CC(N(C)C)=C3.[Br-]
Acriflavine Mixture
Formula: C56H54N12 • Cl2
37407
NC1=CC(N=C2C=C(N)C=CC2=C3)=C3C=C1.NC4=CC=C5C=C6C=CC(N)=CC6=[N+](C)C5=C4.NC7=CC8=NC9=C(C=C8C=C7)C=CC(NC)=C9.NC%10=CC%11=[N+](C)C%12=CC(NC)=CC=C%12C=C%11C=C%10.[Cl-].[Cl-]
ACRIVASTINE
CAS:87848-99-5
Formula: C22H24N2O2
24021
CC1=CC=C(/C(C2=NC(/C=C/C(O)=O)=CC=C2)=C\CN3CCCC3)C=C1
ACS 67
CAS:1088434-86-9
Formula: C32H38O5S3
13619
O[C@@H]1[C@H](C/C=C\CCCC(OC2=CC=C(C3=CC(SS3)=S)C=C2)=O)[C@@H](CC[C@@H](O)CCC4=CC=CC=C4)[C@H](O)C1
ACT-373898
CAS:1433875-14-9
Formula: C15H17BrN4O5S
34916
O=C(COC1=C(C2=CC=C(C=C2)Br)C(NS(=O)(NCCC)=O)=NC=N1)O
ACT-709478
CAS:1838651-58-3
Formula: C22H18F3N5O
25371
O=C(NC1=NN(CC2=CC=C(C#N)C=N2)C=C1)CC3=CC=C(C4(CC4)C(F)(F)F)C=C3
ACTAGARDIN
CAS:59165-34-3
Formula: C81H124N20O24S4
19940
O=C(CN1)N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H]([C@H](C)SC[C@](C(NCC(N[C@@]([C@@H]4C)([H])C(N[C@@H](C(C)C)C(N[C@@]5([H])[C@@H](C)CC)=O)=O)=O)=O)([H])NC6=O)C(N[C@@H](CC(C)C)C(N[C@](C(N[C@]([C@@H](C)CC)([H])C(N[C@H]6CCC(O)=O)=O)=O)
ACTARIT
CAS:18699-02-0
Formula: C10H11NO3
20852
CC(NC1=CC=C(CC(O)=O)C=C1)=O
ACTB-1003
CAS:939805-30-8
Formula: C27H26F5N7O3
30069
NC1=NC=NN2C1=C(C3=CC(F)=C(NC(NC4=CC(C(F)(F)F)=CC=C4F)=O)C=C3)C(COC)=C2CN5CCOCC5
ACTH (1-10) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
Formula: C59H78N16O16S • XCF3COOH
27105
[H]N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(O)=O)=O)CC1=CNC2=C1C=CC=C2)=O)=O)CC3=CC=CC=C3)=O)CC4=CN=CN4)=O)=O)CCSC)=O)=O)CC5=CC=C(O)C=C5)=O.OC(C(F)(F)F)=O
ACTH (1-13) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
Formula: C75H106N20O19S • XCF3COOH
27150
[H]N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(O)=O)=O)=O)=O)=O)CC2=CNC3=C2C=CC=C3)=O)=O)CC4=CC=CC=C4)=O)CC5=CN=CN5)=O)=O)CCSC)=O)=O)CC6=CC
ACTH (1-16) (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt)
Formula: C89H133N25O22S • XCF3COOH
27273
[H]N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(O)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CNC3=C2C=CC=C3)=O)=O)CC4=C
ACTH (1-17) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
Formula: C95H145N29O23S • XCF3COOH
27429
[H]N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CN
ACTH (1-39) (TRIFLUOROACETATE SALT)
Formula: C207H308N56O58S • XCF3COOH
24257
[H]N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N2CCC[C@H]2C(N
ACTH (18-39) (HUMAN)
CAS:53917-42-3
Formula: C112H165N27O36
27274
[H]N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@H](C(N2CCC[C@H]2C(N[C@@H](CC(N)=O)C(NCC(N[C@H](C(N[C@@H](CCC(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](CCC(O)=O)C(N[C@H](C(N[C@H](C(N3CCC[C@H]3
ACTH (4-10) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
Formula: C44H59N13O10S • XCF3COOH
27106
OC(C(F)(F)F)=O.[H]N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(O)=O)=O)CC1=CNC2=C1C=CC=C2)=O)=O)CC3=CC=CC=C3)=O)CC4=CN=CN4)=O)=O)CCSC
ACTH (4-11) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE)
CAS:67224-41-3
Formula: C50H71N15O11S
27430
[H]N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(O)=O)=O)=O)CC1=CNC2=C1C=CC=C2)=O)=O)CC3=CC=CC=C3)=O)CC4=CN=CN4)=O)=O)CCSC
ACTH (6-24) (HUMAN, MOUSE, RAT, PORCINE, BOVINE, OVINE) (TRIFLUOROACETATE SALT)
Formula: C111H175N35O21 • XCF3COOH
27403
[H]N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N2CCC[C@H]2C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@H](C(N3CCC[C
ACTINONIN
CAS:13434-13-4
Formula: C19H35N3O5
16605
O=C([C@H](C(C)C)NC([C@H](CCCCC)CC(NO)=O)=O)N1CCC[C@H]1CO
ACTINOPYRONE A
CAS:88378-59-0
Formula: C25H36O4
23140
COC1=C(C)C(C(C)=C(C/C=C(C)/C/C=C/C(C)=C/[C@@H](C)[C@@H](O)/C(C)=C/C)O1)=O
ACTINOTETRAOSE HEXATIGLATE
CAS:216590-44-2
Formula: C54H78O27
19434
O[C@H]1[C@H](O)[C@@H](COC(/C(C)=C/C)=O)O[C@H](O[C@]2([H])[C@H](O[C@]3([H])O[C@H](CO)[C@@H](OC(/C(C)=C/C)=O)[C@H](OC(/C(C)=C/C)=O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H](COC(/C(C)=C/C)=O)O2)[C@@H]1O[C@@]4([H])[C@H](O)[C@@H](OC(/C(C)=C/C)=O)[C@H](OC(/C(C)=C/C)
ACU 4429 (HYDROCHLORIDE)
CAS:1141934-97-5
Formula: C16H25NO2 • HCl
33242
NCC[C@H](C1=CC(OCC2CCCCC2)=CC=C1)O.Cl
ACUMAPIMOD
CAS:836683-15-9
Formula: C22H19N5O2
25832
O=C(C1=C(N)N(C2=CC(C(NC3CC3)=O)=CC=C2C)N=C1)C4=CC(C#N)=CC=C4
ACY-1215
CAS:1316214-52-4
Formula: C24H27N5O3
21531
O=C(NCCCCCCC(NO)=O)C(C=N1)=CN=C1N(C2=CC=CC=C2)C3=CC=CC=C3
ACY-241
CAS:1316215-12-9
Formula: C24H26ClN5O3
26173
ClC1=C(N(C2=CC=CC=C2)C3=NC=C(C(NCCCCCCC(NO)=O)=O)C=N3)C=CC=C1
ACY-738
CAS:1375465-91-0
Formula: C14H14N4O2
28282
O=C(NO)C1=CN=C(NC2(CC2)C3=CC=CC=C3)N=C1
ACY-775
CAS:1375466-18-4
Formula: C17H19FN4O2
29198
O=C(NO)C1=CN=C(NC2(C3=CC=CC(F)=C3)CCCCC2)N=C1
ACYCLOVIR-D4
CAS:1185179-33-2
Formula: C8H7D4N5O3
26272
O=C1C2=C(N(COC([2H])([2H])C([2H])([2H])O)C=N2)N=C(N)N1
AD57 (HYDROCHLORIDE)
CAS:2320261-72-9
Formula: C22H20F3N7O • HCl
13975
CC(C)N1C2=NC=NC(N)=C2C(C3=CC=C(NC(NC4=CC(C(F)(F)F)=CC=C4)=O)C=C3)=N1.Cl
ADAMTS-5 INHIBITOR
CAS:929634-33-3
Formula: C16H11ClF3N3OS3
17188
ClC1=CC=C(CSC2=C(/C=C3C(NC(S/3)=S)=O)C(C(F)(F)F)=NN2C)C=C1
ADAPALENE
CAS:106685-40-9
Formula: C28H28O3
13655
COC1=C(C23CC(C4)CC(CC4C3)C2)C=C(C=C1)C(C=C5)=CC6=C5C=C(C(O)=O)C=C6
ADAPALENE-D3
CAS:1276433-89-6
Formula: C28H25D3O3
25758
[2H]C([2H])([2H])OC1=C(C2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)C=C(C=C1)C(C=C5)=CC6=C5C=C(C(O)=O)C=C6
ADAPTAQUIN
CAS:385786-48-1
Formula: C21H16ClN3O2
19720
OC1=CC=CN=C1NC(C2=CC=C(Cl)C=C2)C3=C(O)C(N=CC=C4)=C4C=C3
ADAROTENE
CAS:496868-77-0
Formula: C25H26O3
29807
OC(/C=C/C1=CC=C(C2=CC(C3(C[C@H](C4)C5)C[C@H]5C[C@H]4C3)=C(O)C=C2)C=C1)=O
ADB-4EN-PINACA
CAS:2666932-44-9
Formula: C19H26N4O2
33205
O=C(NC(C(C)(C)C)C(N)=O)C1=NN(CCCC=C)C2=C1C=CC=C2
ADB-5'Br-4en-PINACA
Formula: C19H25BrN4O2
37741
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCC=C)C2=C1C=C(Br)C=C2
ADB-5'Br-BUTINACA
Formula: C18H25BrN4O2
36770
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCC)C2=C1C=C(Br)C=C2
ADB-5'Br-BUTINACA 3,3-dimethyl butanoic acid metabolite
Formula: C18H24BrN3O3
37607
O=C(N[C@H](C(O)=O)C(C)(C)C)C1=NN(CCCC)C2=C1C=C(Br)C=C2
ADB-5'Br-BUTINACA-d9
Formula: C18H16D9BrN4O2
38342
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=C(Br)C=C2
ADB-5'Br-DECINACA
Formula: C24H37BrN4O2
37721
O=C(N[C@H](C(C)(C)C)C(N)=O)C1=NN(CCCCCCCCCC)C2=C1C=C(Br)C=C2
ADB-5'Br-PINACA
Formula: C19H27BrN4O2
37758
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CCCCC)C2=C1C=C(Br)C=C2
ADB-5'Br-PINACA-d9
Formula: C19H18D9BrN4O2
40203
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=C(Br)C=C2
ADB-5BR-INACA
Formula: C14H17BrN4O2
36263
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NNC2=C1C=C(Br)C=C2
ADB-BICA
CAS:2219319-40-9
Formula: C22H25N3O2
19729
O=C(NC(C(N)=O)C(C)(C)C)C1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3
ADB-BINACA
CAS:2748155-93-1
Formula: C21H24N4O2
18757
O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3
ADB-BUTINAATA
Formula: C19H28N4O2
36014
CCCCN(C1=C2C=CC=C1)N=C2CC(N[C@H](C(N)=O)C(C)(C)C)=O