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Chemical structure of (±)-Clopidogrel (hydrochloride)

GC41668

(±)-Clopidogrel (hydrochloride)

Also known as methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride

Clopidogrel is an antithrombic compound whose active metabolite is a selective, irreversible antagonist of the platelet purinergic P2Y12 receptor (IC50 = 100 nM)

ChemicalCAS130209-90-4MW358.3FormulaC16H16ClNO2S•HCl
CAS number
130209-90-4
Molecular weight
358.3
Formula
C16H16ClNO2S•HCl
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH 7·2) (1：2)： 0·33 mg/ml,Ethanol： 5 mg/ml
InChIKey
XIHVAFJSGWDBGA-UHFFFAOYSA-N
Catalogue number
GC41668
Brand
GLPBIO
Computed properties PubChem CID 22386150 · TPSA 57.8 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
57.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

SMILES COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.Cl

Computed descriptors from PubChem (CID 22386150), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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