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Substance Name: Dazoxiben glucuronide
RN: 82345-75-3
InChIKey: MHHJOLPETUEANO-GLRLOKQVSA-N

Note

  • Major metabolite of dazoxiben.

Molecular Weight

  • 408.361
 
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Names and Synonyms

Name of Substance

  • Dazoxiben glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(4-(2-(1H-imidazol-1-yl)ethoxy)benzoate)

Registry Numbers

CAS Registry Number

  • 82345-75-3

System Generated Number

  • 0082345753

Structure Descriptors

InChI

1S/C18H20N2O9/c21-12-13(22)15(16(24)25)28-18(14(12)23)29-17(26)10-1-3-11(4-2-10)27-8-7-20-6-5-19-9-20/h1-6,9,12-15,18,21-23H,7-8H2,(H,24,25)/t12-,13-,14+,15-,18-/m0/s1

InChIKey

MHHJOLPETUEANO-GLRLOKQVSA-N

Smiles

c1cc(ccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OCCn3ccnc3