Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Chlorobenzylmercapturic acid
RN: 40379-72-4
InChIKey: PJUKLWCGNNDOKV-NSHDSACASA-N

Note

  • Metabolite of 2-chlorobenzylidine malononitrile.

Molecular Weight

  • 287.766
 
* 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

  • 2-Chlorobenzylmercapturic acid

Synonym

  • o-Chlorobenzylmercapturic acid

Systematic Name

  • L-Cysteine, N-acetyl-S-((2-chlorophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 40379-72-4

System Generated Number

  • 0040379724

Structure Descriptors

InChI

1S/C12H14ClNO3S/c1-8(15)14-11(12(16)17)7-18-6-9-4-2-3-5-10(9)13/h2-5,11H,6-7H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1

InChIKey

PJUKLWCGNNDOKV-NSHDSACASA-N

Smiles

C([C@@H](NC(=O)C)CSCc1c(cccc1)Cl)(=O)O