CLOPIDOGREL ACYL-.BETA.-D-GLUCURONIDE

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

Structure Search

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

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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

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Comments:

CYP2C8 is strongly inhibited by the clopidogrel metabolite acyl€??€?D€?glucuronide.