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Substance Name: 4,3-Premercapturic acid
RN: 21125-60-0
InChIKey: PWQBFQOMFVQBTE-IDKOKCKLSA-N

Note

  • A urinary precursor of mercapturic acid.

Molecular Formula

  • C11-H14-Br-N-O4-S

Molecular Weight

  • 336.205
 
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Names and Synonyms

Name of Substance

  • 4,3-Premercapturic acid

Synonyms

  • 4-S-Premercapturic acid
  • N-Acetyl-S-(2-hydroxy-4-bromocyclohexa-3,5-dienyl)cysteine

Systematic Name

  • L-Cysteine, N-acetyl-S-(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)-

Registry Numbers

CAS Registry Number

  • 21125-60-0

System Generated Number

  • 0021125600

Structure Descriptors

InChI

1S/C11H14BrNO4S/c1-6(14)13-8(11(16)17)5-18-10-3-2-7(12)4-9(10)15/h2-4,8-10,15H,5H2,1H3,(H,13,14)(H,16,17)/t8-,9?,10?/m0/s1

InChIKey

PWQBFQOMFVQBTE-IDKOKCKLSA-N

Smiles

C1=C(C=C[C@@H](SC[C@@H](C(O)=O)NC(=O)C)[C@@H]1O)Br