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Substance Name: 4'-Sulfonyloxy-N-(glutathion-S-methylene)-4-aminoazobenzene
RN: 85473-31-0
InChIKey: PGOYDZAUTFHQKP-FLKZUCLOSA-N

Note

  • Major biliary metabolite of DAB.

Molecular Formula

  • C23-H28-N6-O10-S2

Molecular Weight

  • 612.638
 
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Names and Synonyms

Name of Substance

  • 4'-Sulfonyloxy-N-(glutathion-S-methylene)-4-aminoazobenzene

Synonym

  • Sogmab

Systematic Name

  • Glycine, N-(N-L-gamma-glutamyl-S-(((4-((4-(sulfooxy)phenyl)azo)phenyl)amino)methyl)-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 85473-31-0

System Generated Number

  • 0085473310

Structure Descriptors

InChI

1S/C23H28N6O10S2/c24-18(23(34)35)9-10-20(30)27-19(22(33)25-11-21(31)32)12-40-13-26-14-1-3-15(4-2-14)28-29-16-5-7-17(8-6-16)39-41(36,37)38/h1-8,18-19,26H,9-13,24H2,(H,25,33)(H,27,30)(H,31,32)(H,34,35)(H,36,37,38)/b29-28+/t18-,19-/m0/s1

InChIKey

PGOYDZAUTFHQKP-FLKZUCLOSA-N

Smiles

OS(=O)(Oc1ccc(cc1)\N=N\c1ccc(NCSC[C@H](NC(CC[C@@H](C(O)=O)N)=O)C(NCC(O)=O)=O)cc1)=O