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Substance Name: Doranidazole [INN]
RN: 149838-23-3
UNII: 911XR034RX
InChIKey: FIITXXIVUIXYMI-RQJHMYQMSA-N

Note

  • A 2-nitroimidazole nucleoside analog; used as a hypoxic cell sensitizer.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H13-N3-O6

Molecular Weight

  • 247.2057
 
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Names and Synonyms

Name of Substance

  • 1-(1',3',4'-Trihydroxy-2'-butoxy)methyl-2-nitroimidazole
  • Doranidazole [INN]

Synonyms

  • (2RS,3SR)-3-{(2-Nitroimidazol-1-yl)methoxy}butane-1,2,4-triol
  • 1-((2',3'-Dihydroxy-1'-hydroxymethyl)propoxy)methyl-2-nitroimidazole
  • 3-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,2,4-butanetriol (R*,S*)-
  • Doranidazole
  • PR 350
  • UNII-911XR034RX

Systematic Name

  • 1,2,4-Butanetriol, 3-((2-nitro-1H-imidazol-1-yl)methoxy)-, (R*,S*)-

Registry Numbers

CAS Registry Number

  • 149838-23-3

FDA UNII

  • 911XR034RX

Other Registry Number

  • 161903-11-3

System Generated Number

  • 0149838233

Structure Descriptors

InChI

1S/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m1/s1

InChIKey

FIITXXIVUIXYMI-RQJHMYQMSA-N

Smiles

OC[C@@H](O)[C@H](CO)OCn1ccnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5900mg/kg (5900mg/kg)   European Patent Application. Vol. #0513351,