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Rac-Clopidogrel Carboxylic acid-[d4]

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General Information
Catalog: BLP-013874
CAS: 1246814-52-7
Molecular Formula: C15H10ClNO2SD4
Molecular Weight: 311.82

Chemical Structure

Description	Rac-Clopidogrel Carboxylic acid-[d4] is a deuterated metabolite of the drug Clopidogrel. Clopidogrel is a medication approved for the treatment of heart attacks and strokes.
Synonyms	rac-Clopidogrel-d4 Carboxylic Acid; Clopidogrel Carboxylic Acid-d4; (2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid-d4
IUPAC Name	2-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
Related CAS	90055-55-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(C(=O)O)N2CCC3=C(C2)C=CS3)Cl)[2H])[2H]
Canonical SMILES	C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O
InChI	InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)/i1D,2D,3D,4D
InChI Key	DCASRSISIKYPDD-RHQRLBAQSA-N
Melting Point	100-105°C (dec.)
Purity	>95%; 98% atom D
Appearance	Pale Yellow Solid