Clopidogrel Ethyl Ester Sulfate

ISO 17034:
Catalog Number : CS-P-07397
CAS Number : 1332612-57-3
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Product Information

Product Name : Clopidogrel Ethyl Ester Sulfate
Category : Metabolites

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Canonical SMILES : CCOC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
Isomeric SMILES : CCOC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
InChI : InChI=1S/C17H18ClNO2S.H2O4S/c1-2-21-17(20)16(13-5-3-4-6-14(13)18)19-9-7-15-12(11-19)8-10-22-15;1-5(2,3)4/h3-6,8,10,16H,2,7,9,11H2,1H3;(H2,1,2,3,4)/t16-;/m0./s1
InchIKey : CZPQIIDIBKISIG-NTISSMGPSA-N
IUPAC Name : ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
Exact Mass : 433.0420574