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Substance Name: S-(2-Bromophenyl)mercapturic acid
RN: 113276-92-9
InChIKey: BCEPAWKGKVEGSZ-VIFPVBQESA-N

Molecular Formula

  • C11-H12-Br-N-O3-S

Molecular Weight

  • 318.19
 
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Names and Synonyms

Name of Substance

  • S-(2-Bromophenyl)mercapturic acid

Synonyms

  • O-Bpma
  • ortho-Bromophenylmercapturic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113276-92-9

System Generated Number

  • 0113276929

Structure Descriptors

InChI

1S/C11H12BrNO3S/c1-7(14)13-9(11(15)16)6-17-10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1

InChIKey

BCEPAWKGKVEGSZ-VIFPVBQESA-N

Smiles

C([C@@H](NC(=O)C)CSc1c(cccc1)Br)(=O)O