U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22ClNO8S
Molecular Weight 483.919
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOPIDOGREL ACYL-.BETA.-D-GLUCURONIDE

SMILES

O[C@H]1[C@H](OC(=O)[C@@H](N2CCC3=C(C2)C=CS3)C4=CC=CC=C4Cl)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=TUBQAJBXTWIXFX-CLCCAKIRSA-N
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

HIDE SMILES / InChI

Molecular Formula C21H22ClNO8S
Molecular Weight 483.919
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:10:26 UTC 2019
Edited
by admin
on Tue Oct 22 09:10:26 UTC 2019
Record UNII
IM3DU3HN0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOPIDOGREL ACYL-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((.ALPHA.S)-.ALPHA.-(2-CHLOROPHENYL)-6,7-DIHYDROTHIENO(3,2-C)PYRIDINE-5(4H)-ACETATE)
Common Name English
CLOPIDOGREL ACYL GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
96359892
Created by admin on Tue Oct 22 09:10:26 UTC 2019 , Edited by admin on Tue Oct 22 09:10:26 UTC 2019
PRIMARY
CAS
1314116-53-4
Created by admin on Tue Oct 22 09:10:26 UTC 2019 , Edited by admin on Tue Oct 22 09:10:26 UTC 2019
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
CYP2C8 is strongly inhibited by the clopidogrel metabolite acyl€??€?D€?glucuronide.