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trans-Clopidogrel-MP Ethyl Ester-[13C,d3] Derivative (Mixture of Diastereomers)

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General Information
Catalog: BLP-006253
CAS: 1331383-23-3
Molecular Formula: C26[13C]H27D3ClNO6S
Molecular Weight: 536.06

Chemical Structure

Description	trans-Clopidogrel-MP Ethyl Ester-[13C,d3] Derivative (Mixture of Diastereomers) is the labelled analogue of trans-Clopidogrel-MP Ethyl Ester Derivative (Mixture of Diastereomers), which is an intermediate in the preparation of Clopidogrel derivatives.
Synonyms	trans-Clopidogrel-MP-13C,d3 Ethyl Ester Derivative (Mixture of Diastereomers); Methyl (2-chlorophenyl)[(3E)-3-(2-ethoxy-2-oxoethylidene)-4-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}piperidin-1-yl]acetate-13C,d3; 1-Piperidineacetic acid, α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-4-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-, methyl ester-13C,d3
IUPAC Name	methyl 2-(2-chlorophenyl)-2-[(3E)-3-(2-ethoxy-2-oxoethylidene)-4-[2-oxo-2-[3-(trideuterio(1-13C)methoxy)phenyl]ethyl]sulfanylpiperidin-1-yl]acetate
Related CAS	1331383-19-7 (unlabelled)
Canonical SMILES	CCOC(=O)C=C1CN(CCC1SCC(=O)C2=CC(=CC=C2)OC)C(C3=CC=CC=C3Cl)C(=O)OC
InChI	InChI=1S/C27H30ClNO6S/c1-4-35-25(31)15-19-16-29(26(27(32)34-3)21-10-5-6-11-22(21)28)13-12-24(19)36-17-23(30)18-8-7-9-20(14-18)33-2/h5-11,14-15,24,26H,4,12-13,16-17H2,1-3H3/b19-15+/i2+1D3
InChI Key	PPIXPNIXZHUBJO-HFUDFJFXSA-N
Purity	≥90%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Brown Solid