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2-Oxo Clopidogrel-[13C,d3] Hydrochloride (Mixture of Diastereomers)

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General Information
Catalog: BLP-006376
CAS: 1794713-84-0
Molecular Formula: C15[13C]H13D3ClNO3S.HCl
Molecular Weight: 378.29

Chemical Structure

Description	2-Oxo Clopidogrel-[13C,d3] Hydrochloride (Mixture of Diastereomers) is the labelled salt of 2-Oxo Clopidogrel. 2-Oxo Clopidogrel is the essential intermediate metabolite from which the active metabolite of Clopidogel is formed.
Synonyms	2-Oxo Clopidogrel-13C,d3 Hydrochloride (Mixture of Diastereomers); α-(2-Chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-thieno[3,2-c]pyridine-5(4H)-acetic Acid Methyl Ester-13C,d3 Hydrochloride
IUPAC Name	trideuterio(1-13C)methyl 2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate;hydrochloride
Related CAS	1219432-42-4 (unlabelled) 109904-27-0 (unlabelled free base)
Canonical SMILES	COC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2.Cl
InChI	InChI=1S/C16H16ClNO3S.ClH/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13;/h2-5,8,13,15H,6-7,9H2,1H3;1H/i1+1D3;
InChI Key	KCFLQPXPVKZERK-SPZGMPHYSA-N
Melting Point	>148°C (dec.)
Purity	97%; 97% atom 13C, 97% atom D
Solubility	Slightly soluble in DMSO; Very slightly soluble in Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere