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Substance Name: 6-(Glutathion-S-yl)-4-bromocatechol
RN: 92263-88-2
InChIKey: RPPCNELAICWYHU-IUCAKERBSA-N

Note

  • Microsomal metabolite of 4-bromophenol.

Molecular Weight

  • 494.317
 
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Names and Synonyms

Name of Substance

  • 6-(Glutathion-S-yl)-4-bromocatechol

Synonym

  • 6-GBC

Systematic Name

  • Glycine, N-(S-(5-bromo-2,3-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 92263-88-2

System Generated Number

  • 0092263882

Structure Descriptors

InChI

1S/C16H20BrN3O8S/c17-7-3-10(21)14(25)11(4-7)29-6-9(15(26)19-5-13(23)24)20-12(22)2-1-8(18)16(27)28/h3-4,8-9,21,25H,1-2,5-6,18H2,(H,19,26)(H,20,22)(H,23,24)(H,27,28)/t8-,9-/m0/s1

InChIKey

RPPCNELAICWYHU-IUCAKERBSA-N

Smiles

c1(O)c(O)c(SC[C@H](NC(=O)CC[C@@H](C(O)=O)N)C(NCC(O)=O)=O)cc(Br)c1