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Substance Name: N-Acetyl-S-(1-cyano-2-hydroxyethyl)cysteine
RN: 116477-44-2
InChIKey: UEMSOISQYXTWFP-MLWJPKLSSA-N

Note

  • Urinary metabolite of acrylonitrile and oxiranecarbonitrile.

Molecular Formula

  • C8-H12-N2-O4-S

Molecular Weight

  • 232.259
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-S-(1-cyano-2-hydroxyethyl)cysteine

Synonym

  • CHEMA

Systematic Name

  • L-Cysteine, N-acetyl-S-(1-cyano-2-hydroxyethyl)-

Registry Numbers

CAS Registry Number

  • 116477-44-2

System Generated Number

  • 0116477442

Structure Descriptors

InChI

1S/C8H12N2O4S/c1-5(12)10-7(8(13)14)4-15-6(2-9)3-11/h6-7,11H,3-4H2,1H3,(H,10,12)(H,13,14)/t6?,7-/m0/s1

InChIKey

UEMSOISQYXTWFP-MLWJPKLSSA-N

Smiles

C([C@@H](NC(=O)C)CS[C@@H](CO)C#N)(=O)O