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Substance Name: Misonidazole glucuronide
RN: 86589-32-4
InChIKey: AGTMQQNYEJNPKI-GEBOREBZSA-N

Note

  • Misonidazole metabolite in rat liver.

Molecular Weight

  • 377.3041
 
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Names and Synonyms

Name of Substance

  • Misonidazole glucuronide

Synonym

  • Misonidazole-beta-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 1-(methoxymethyl)-2-(2-nitro-1H-imidazol-1-yl)ethyl

Registry Numbers

CAS Registry Number

  • 86589-32-4

System Generated Number

  • 0086589324

Structure Descriptors

InChI

1S/C13H19N3O10/c1-24-5-6(4-15-3-2-14-13(15)16(22)23)25-12-9(19)7(17)8(18)10(26-12)11(20)21/h2-3,6-10,12,17-19H,4-5H2,1H3,(H,20,21)/t6?,7-,8-,9+,10-,12+/m0/s1

InChIKey

AGTMQQNYEJNPKI-GEBOREBZSA-N

Smiles

COCC(Cn1ccnc1[N+](=O)[O-])O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O