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

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NCATS

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 .ALPHA.-METHYL ESTER, (.ALPHA.S,3Z,4R)-

Structure Search

SMILES

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

InChI

InChIKey=CWUDNVCEAAXNQA-VLODSAPTSA-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+/m1/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 `Sat Dec 16 09:05:20 UTC 2023` Edited by `admin` on `Sat Dec 16 09:05:20 UTC 2023`
Record UNII	4T2K9E4TEH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

1-Methyl (αS,3Z,4R)-3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-1-piperidineacetate

Systematic Name

English

CLOPIDOGREL THIOL METABOLITE H4

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

4T2K9E4TEH

Created by admin on Sat Dec 16 09:05:20 UTC 2023 , Edited by admin on Sat Dec 16 09:05:20 UTC 2023

PRIMARY

CAS

1148015-30-8

Created by admin on Sat Dec 16 09:05:20 UTC 2023 , Edited by admin on Sat Dec 16 09:05:20 UTC 2023

ALTERNATIVE

CAS

1147350-77-3

Created by admin on Sat Dec 16 09:05:20 UTC 2023 , Edited by admin on Sat Dec 16 09:05:20 UTC 2023

ALTERNATIVE

PUBCHEM

71712269

Created by admin on Sat Dec 16 09:05:20 UTC 2023 , Edited by admin on Sat Dec 16 09:05:20 UTC 2023

PRIMARY

CAS

317322-48-8

Created by admin on Sat Dec 16 09:05:20 UTC 2023 , Edited by admin on Sat Dec 16 09:05:20 UTC 2023

PRIMARY

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					4T2K9E4TEH

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

ACTIVE MOIETY