Clopidogrel-β-D-glucuronide

CAS Registry Number®

1314116-53-4

CAS Name

Clopidogrel-β-D-glucuronide

Molecular Formula

C21H22ClNO8S

Molecular Mass

483.92

Cite this Page

Clopidogrel-β-D-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1314116-53-4 (retrieved 2024-11-21) (CAS RN: 1314116-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration