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Substance Name: N-Acetyl-S-(2-cyanoethyl)cysteine
RN: 74514-75-3
UNII: Q710T40465
InChIKey: VDKVYEUEJCNDHM-ZETCQYMHSA-N

Note

  • Major urinary metabolite of acrylonitrile.

Molecular Formula

  • C8-H12-N2-O3-S

Molecular Weight

  • 216.26
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-S-(2-cyanoethyl)cysteine

Synonyms

  • NASCS
  • S-Cyanoethylmercapturic acid
  • UNII-Q710T40465

Systematic Name

  • L-Cysteine, N-acetyl-S-(2-cyanoethyl)-

Registry Numbers

CAS Registry Number

  • 74514-75-3

FDA UNII

  • Q710T40465

System Generated Number

  • 0074514753

Structure Descriptors

InChI

1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

InChIKey

VDKVYEUEJCNDHM-ZETCQYMHSA-N

Smiles

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