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Substance Name: 3-(Carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-1-piperidineacetic acid 1-methyl ester, (alphaS,3E,4R)-
RN: 1415550-27-4
UNII: 19F0WVD0NG
InChIKey: CWUDNVCEAAXNQA-PNTFSDHLSA-N

Molecular Formula

  • C16-H18-Cl-N-O4-S

Molecular Weight

  • 355.8402
 
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Names and Synonyms

Name of Substance

  • 3-(Carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-1-piperidineacetic acid 1-methyl ester, (alphaS,3E,4R)-

Synonyms

  • (E)-2-((R)-1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acid
  • 1-Piperidineacetic acid, 3-(carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, (alphaS,3E,4R)-
  • 3-(Carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-1-piperidineacetic acid 1-methyl ester, (alphaS,3E,4R)-
  • Clopidogrel thiol metabolite H2
  • UNII-19F0WVD0NG

Registry Numbers

CAS Registry Number

  • 1415550-27-4

FDA UNII

  • 19F0WVD0NG

System Generated Number

  • 1415550274

Structure Descriptors

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

InChIKey

CWUDNVCEAAXNQA-PNTFSDHLSA-N

Smiles

COC(=O)[C@H](c1ccccc1Cl)N2CC[C@H](/C(=C/C(=O)O)/C2)S