CAS Registry Number®
1314116-53-4
CAS Name
Clopidogrel-β-D-glucuronide
Molecular Formula
C21H22ClNO8S
Molecular Mass
483.92
Other Names and Identifiers
InChI
InChI=1S/C21H22ClNO8S/c22-12-4-2-1-3-11(12)14(23-7-5-13-10(9-23)6-8-32-13)20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28/h1-4,6,8,14-18,21,24-26H,5,7,9H2,(H,27,28)/t14-,15-,16-,17+,18-,21-/m0/s1
InChIKey
InChIKey=TUBQAJBXTWIXFX-CLCCAKIRSA-N
SMILES
[C@H](C(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)=O)(N2CC3=C(CC2)SC=C3)C4=C(Cl)C=CC=C4
Canonical SMILES
O=C(O)C1OC(OC(=O)C(C=2C=CC=CC2Cl)N3CC=4C=CSC4CC3)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranuronic acid, 1-[(αS)-α-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate]
- Clopidogrel-β-D-glucuronide
