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rac Clopidogrel-[d4] Hydrogen Sulfate

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General Information
Catalog: BLP-012840
CAS: 1219274-96-0
Molecular Formula: C16H12D4ClNO2S.H2SO4
Molecular Weight: 423.92

Chemical Structure

Description	rac Clopidogrel-[d4] Hydrogen Sulfate is the labelled analogue of rac Clopidogrel Hydrogen Sulfate, which is used in the synthesis of Clopidogrel derivatives as platelet aggregation inhibitors.
Synonyms	Clopidogrel D4 Hydrogen sulfate; α-(2-Chlorophenyl-d4)-6,7-dihydro-thieno[3,2-c]pyridine-5(4H)-acetic Acid Methyl Ester Sulfate; (+/-)-Clopidogrel-d4 Bisulfate; rac-Clopidogrel-d4 Hydrogen Sulfate
IUPAC Name	methyl 2-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
Related CAS	135046-48-9 (unlabelled) 90055-48-4 (unlabelled free base)
Canonical SMILES	COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
InChI	InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/i2D,3D,4D,5D;
InChI Key	FDEODCTUSIWGLK-QZFMBAIXSA-N
Melting Point	>204°C (dec.)
Purity	≥96% by HPLC; ≥99% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	White Solid
Storage	Store at -20°C