Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,4-Premercapturic acid
RN: 134958-24-0
InChIKey: ZQHJIBWLHAGDPQ-IDKOKCKLSA-N

Note

  • A urinary precursor of mercapturic acid.

Molecular Formula

  • C11-H14-Br-N-O4-S

Molecular Weight

  • 336.2046
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3,4-Premercapturic acid

Synonyms

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

Systematic Name

  • L-Cysteine, N-acetyl-S-(3-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)-

Registry Numbers

CAS Registry Number

  • 134958-24-0

System Generated Number

  • 0134958240

Structure Descriptors

InChI

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

InChIKey

ZQHJIBWLHAGDPQ-IDKOKCKLSA-N

Smiles

CC(=O)N[C@@H](CSC1C=C(C=CC1O)Br)C(=O)O