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Substance Name: 3-Chloro-2-hydroxypropylmercapturic acid
RN: 97729-49-2
InChIKey: AVEOXQDYMIQASN-MLWJPKLSSA-N

Note

  • Urinary metabolite of allyl chloride.

Molecular Formula

  • C8-H14-Cl-N-O4-S

Molecular Weight

  • 255.721
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-2-hydroxypropylmercapturic acid

Synonyms

  • Chpma cpd
  • N-Acetyl-S-(3-chloro-2-hydroxypropyl)-L-cysteine
  • N-Acetyl-S-(3-chloro-2-hydroxypropyl)cysteine

Systematic Name

  • L-Cysteine, N-acetyl-S-(3-chloro-2-hydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 97729-49-2

System Generated Number

  • 0097729492

Structure Descriptors

InChI

1S/C8H14ClNO4S/c1-5(11)10-7(8(13)14)4-15-3-6(12)2-9/h6-7,12H,2-4H2,1H3,(H,10,11)(H,13,14)/t6?,7-/m0/s1

InChIKey

AVEOXQDYMIQASN-MLWJPKLSSA-N

Smiles

C(Cl)[C@@H](O)CSC[C@H](NC(=O)C)C(O)=O