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Substance Name: Misonidazole-glutathione conjugate
RN: 86356-71-0
InChIKey: YTANSWIJQWDJMX-DVRYWGNFSA-N

Note

  • Raction product of misonidazole & glutathione after reduction of the former to the hydroxylamine derivative; consists of mixture of 4- and 5-glutathione isomers.

Molecular Formula

  • C17-H28-N6-O8-S

Molecular Weight

  • 476.508
 
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Names and Synonyms

Name of Substance

  • Misonidazole-glutathione conjugate

Synonyms

  • 1-(2-Amino-(4-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol
  • 1-(2-Amino-(5-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol
  • GS-Mis

Systematic Name

  • Glycine, N-(S-(2-amino-1-(2-hydroxy-3-methoxypropyl)-1H-imidazol-4-yl)-N-L-gamma-glutamyl-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 86356-71-0

System Generated Number

  • 0086356710

Structure Descriptors

InChI

1S/C17H28N6O8S/c1-31-7-9(24)5-23-6-13(22-17(23)19)32-8-11(15(28)20-4-14(26)27)21-12(25)3-2-10(18)16(29)30/h6,9-11,24H,2-5,7-8,18H2,1H3,(H2,19,22)(H,20,28)(H,21,25)(H,26,27)(H,29,30)/t9?,10-,11-/m0/s1

InChIKey

YTANSWIJQWDJMX-DVRYWGNFSA-N

Smiles

n1(cc(nc1N)SC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)C[C@@H](COC)O