3-(CARBOXYMETHYLENE)-.ALPHA.-(2-CHLOROPHENYL)-4-MERCAPTO-1-PIPERIDINEACETIC ACID 1-METHYL ESTER, (.ALPHA.S,3E,4S)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18ClNO4S
Molecular Weight	355.836
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-(CARBOXYMETHYLENE)-.ALPHA.-(2-CHLOROPHENYL)-4-MERCAPTO-1-PIPERIDINEACETIC ACID 1-METHYL ESTER, (.ALPHA.S,3E,4S)-

Structure Search

SMILES

COC(=O)[C@@H](N1CC[C@H](S)\C(C1)=C\C(O)=O)C2=CC=CC=C2Cl

InChI

InChIKey=CWUDNVCEAAXNQA-AWGPODSSSA-N

InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/b10-8+/t13-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H18ClNO4S
Molecular Weight	355.836
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:05 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:05 GMT 2025`
Record UNII	2Y8VCJ9O50
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(CARBOXYMETHYLENE)-.ALPHA.-(2-CHLOROPHENYL)-4-MERCAPTO-1-PIPERIDINEACETIC ACID 1-METHYL ESTER, (.ALPHA.S,3E,4S)-

Common Name

English

CLOPIDOGREL THIOL METABOLITE H1

Preferred Name

English

(E)-2-((S)-1-((S)-1-(2-CHLOROPHENYL)-2-METHOXY-2-OXOETHYL)-4-MERCAPTOPIPERIDIN-3-YLIDENE)ACETIC ACID

Systematic Name

English

1-PIPERIDINEACETIC ACID, 3-(CARBOXYMETHYLENE)-.ALPHA.-(2-CHLOROPHENYL)-4-MERCAPTO-, 1-METHYL ESTER, (.ALPHA.S,3E,4S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

133083123

Created by admin on Mon Mar 31 22:31:05 GMT 2025 , Edited by admin on Mon Mar 31 22:31:05 GMT 2025

PRIMARY

CAS

1351983-67-9

Created by admin on Mon Mar 31 22:31:05 GMT 2025 , Edited by admin on Mon Mar 31 22:31:05 GMT 2025

ALTERNATIVE

FDA UNII

2Y8VCJ9O50

Created by admin on Mon Mar 31 22:31:05 GMT 2025 , Edited by admin on Mon Mar 31 22:31:05 GMT 2025

PRIMARY

CAS

1415550-28-5

Created by admin on Mon Mar 31 22:31:05 GMT 2025 , Edited by admin on Mon Mar 31 22:31:05 GMT 2025

PRIMARY

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