UCSF

ZINC34781704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 21 Yes

Popular Name: Clopidogrel Clopidogrel

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113665-84-2 , 113665-84-2; 120202-66-6; 135046-48-9 , 120202-66-6 , 120202-66-6, 113665-84-2 , 120202-68-8 , 120202-71-3 , 135046-48-9 , 744256-72-2 , 90055-48-4 , 90055-48-4 ; 113665-84-2 , [113665-84-2] , [120202-66-6] , [135046-48-9] , [744256-72-2] , [90055-48-4]

Other Names:

( )-(S)-Clopidogrel

( -)-Clopidogrel; (plus,minus)-Clopidogrel; C16H16ClNO2S; Clopidogrel; Clopidogrelum [Latin]; LS-152400; Methyl 2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)acetate; PCR 4099; PCR-4099; Plavix; SC 25989C; SC 25990C; Thieno(3,2-c)pyrid

(+)-Clopidogrel

(+/-)-Clopidogrel bisulfate

(+/-)-CLOPIDOGREL HYDROCHLORIDE

(+/-)-Clopidogrel hydrogen sulfate

(+/-)-Clopidogrel hydrogen sulfate, 98+%

(+/-)-Clopidogrel hydrogensulfate

(2-Chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester

(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester

(S)-( )-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno(3,2-c)pyrid-5-yl)acetate bisulfate; C16H16ClNO2S.H2O4S; CLOPIDOGREL BISULFATE; Clopidogrel Bisulfate [USAN]; Clopidogrel hemisulfate; Clopidogrel hydrogen sulfate; Iscover; LS-172438; Methyl (+)-(S)-al

(S)-(+)-Clopidogrel Hydrogensulfate

(S)-Clopidogrel

(S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate

(S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate methanesulfonate

(S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate sulfate

(S)-Methyl2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetatesulfate

(±)-Clopidogrel (hydrochloride)

grel

grel-

113665-84-2

113665-84-2; Clopidogrel (INN); Clopidogrel (TN); D07729; Plavix (TN)

120202-66-6; Clopidogrel bisulfate (USAN); Clopidogrel sulfate (JAN); D00769; Isocover (TN); Plavix (TN)

AC-19024

AC1L1TKZ

AC1Q41I9

BIDD:GT0284

BRD-K27721098-065-02-9

BSPBio_003211

C16H16ClNO2S

C16H16ClNO2S; Clopidogrel; Clopidogrel [INN:BAN]; HSDB 7430; LS-172232; Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate; Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-

CGE

CHEBI:37941

CHEMBL1771

CID60606

Clopidogrel (BAN

Clopidogrel (INN)

Clopidogrel (Plavix)

Clopidogrel (TN)

Clopidogrel Bisulfate

Clopidogrel bisulfate; Clopidogrel hemisulfate; Clopidogrel hydrogen sulfate

CLOPIDOGREL BISULPHATE

Clopidogrel camphorsulfonate

Clopidogrel Hydrogen sulfate

CLOPIDOGREL HYDROGEN SULPHATE

Clopidogrel hydrogensulfate

Clopidogrel sulfate

Clopidogrel sulphate

Clopidogrel [Ban:Inn]

Clopidogrel [INN:BAN]

clopidogrel, (+)(S)-isomer

Clopidogrel, 98.5%+

clopidogrel; clopidogrelum

Clopidogrel;(+)-(S)-Clopidogrel;(S)-Clopidogrel;Clopidogrel bisulfate;Clopidogrel bisulphate;Isocover;Plavix

Clopidogrel;(+)-(S)-Clopidogrel;(S)-Clopidogrel;Clopidogrel bisulfate;Isocover;Plavix;Clopidogrel bisulphate

CLOPIDOGRELBISULFATE

Clopidogrelum

CPD000550475

CPD000550475; SAM002589956; clopidogrel

D07729

DAP000178

DB00758

DivK1c_000787

DV-7314

FDA

HMS2090O21

HMS502H09

HSDB 7430

IDI1_000787

INN); Clopidogrel Bisulfate (FDA

Iscover

KBio1_000787

KBio2_000545

KBio2_003113

KBio2_005681

KBio3_002431

KBioGR_000689

KBioSS_000545

LS-152396

LS-172232

MDCO-157

Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate

Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate hydrogen sulfate

methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate

Methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate

methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate

methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

MFCD00866627

MFCD00876395

MFCD05662337

MFCD05865229

MFCD09037335

MFCD12911405

MFCD17215520

MLS001165708

MLS001195633

MLS001304711

MolPort-002-885-817

MolPort-003-845-991

NA

NCGC00163329-02

nchem.651-comp8

NINDS_000787

Plavix

Plavix (TN)

PM-103

R-(-)-ClopidogrelHydrogenSulfate

SAM002589956

SMR000550475

SPBio_000463

Spectrum2_000512

Spectrum3_001606

Spectrum4_000175

Spectrum_000105

SR 25990

SR-25990

SR-25990C

ST-7488

STK580572

STOCK5S-27782

sulfuric acid methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate

Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-

Thieno[3,2-c]pyridine-5(4H)-acetic acid, ¦Á-(2-chlorophenyl)-6,7-dihydro-, methyl ester

TL8000400

UNII-A74586SNO7

USAN

USAN)

USP

USP)

Zyllt

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 9.08 -5.9 0 3 0 30 321.829 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.18e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% APIChem
Purity >98% Matrix Scientific
Indications antiischemic KeyOrganics Bioactives
Patent Database Links EP1415993; EP1621200; EP1679067; EP1693375; EP1719526; EP1743639; EP1746099; EP1772455; EP1889847; EP1894567; EP1900358; EP1903046; EP1927595; EP1939188; EP1942110; EP1970054; EP1980563; EP1992346; US2004072880; US2005009895; US2005038030; US2005049275; U ChEBI
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : C-1406; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER NIH Clinical Collection via PubChem
Target P2 Receptor Selleck Chemicals
Therapy platelet aggregation inhibitor SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: C-1406; SUPPLIER_COMMENTS: OFF-WHITE POWDER NIH Clinical Collection via PubChem
Patent Database Links US2007196504 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP2B6-3-E Cytochrome P450 2B6 (cluster #3 Of 4), Eukaryotic Eukaryotes 500 0.42 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP2B6_HUMAN P20813 Cytochrome P450 2B6, Human 1100 0.40 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CYP2E1 reactions
Fatty acids
Xenobiotics

Analogs ( Draw Identity 99% 90% 80% 70% )