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Substance Name: Fluoromisonidazole
RN: 13551-89-8
UNII: 082285VIDF
InChIKey: HIIJZYSUEJYLMX-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Radiation-Sensitizing Agents

Molecular Formula

  • C6-H8-F-N3-O3

Molecular Weight

  • 189.1452
 
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Names and Synonyms

Results Name

  • Fluoromisonidazole

Name of Substance

  • Fluoromisonidazole

Synonyms

  • 1-(2-Hydroxy-3-fluoropropyl)-2-nitroimidazole
  • 1-(2-Nitro-1-imidazolyl)-3-fluoro-2-propanol
  • 5-23-04-00475 (Beilstein Handbook Reference)
  • alpha-(Fluoromethyl)-2-nitroimidazole-1-ethanol
  • BRN 0522249
  • Fluoromisonidazole
  • KU 2210
  • Misonidazole, fluoro-
  • NSC 292930
  • Ro-07-0741
  • SR 1367
  • SR 1369
  • UNII-082285VIDF

Systematic Names

  • 1H-Imidazole-1-ethanol, alpha-(fluoromethyl)-2-nitro (9CI)
  • Imidazole-1-ethanol, alpha-(fluoromethyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 13551-89-8

FDA UNII

  • 082285VIDF

System Generated Number

  • 0013551898

Structure Descriptors

InChI

1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2

InChIKey

HIIJZYSUEJYLMX-UHFFFAOYSA-N

Smiles

OC(CF)Cn1ccnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 620mg/kg (620mg/kg)   Radiation Research. Vol. 91, Pg. 186, 1982.
mouse LD50 unreported 900mg/kg (900mg/kg)   United States Patent Document. Vol. #4371540,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.52 (none)   EXP
Water Solubility 5.62E+04 mg/L 25 EST
Vapor Pressure 6.18E-07 mm Hg 25 EST
Henry's Law Constant 4.05E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.