Molecular Identity
Clopidogrel
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
PubChem CID: 60606
Clopidogrel is a thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. It has a role as an anticoagulant, a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is a methyl ester, a thienopyridine and a member of monochlorobenzenes. It is functionally related to a ticlopidine.
2D Structure
Properties
C16H16ClNO2S
Molecular Formula
321.80
Molecular Weight
g/mol
321.0590
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
57.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
381
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3Isomeric SMILES
SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3Synonyms(20)
clopidogrel113665-84-2ThromboZyllt(+)-ClopidogrelClopidogrel AcinoClopidogrel Hexal(+)-(S)-ClopidogrelIscoverSR 25990R 130964Clopidogrel ratiopharm GmbHClopidogrelumCHEBI:37941A74586SNO7
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Clopidogrel
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