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Substance Name: Isometronidazole
RN: 705-19-1
UNII: 0WI2PRW4QM
InChIKey: RSXWJXPKLRYMHW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H9-N3-O3

Molecular Weight

  • 171.155
 
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Names and Synonyms

Name of Substance

  • Isometronidazole

Synonyms

  • 2-Methyl-4-nitroimidazole-1-ethanol
  • 5-23-05-00079 (Beilstein Handbook Reference)
  • BRN 0610468
  • Isometronidazole
  • Izoklion
  • R.P. 8979
  • UNII-0WI2PRW4QM

Systematic Name

  • Imidazole-1-ethanol, 2-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 705-19-1

FDA UNII

  • 0WI2PRW4QM

System Generated Number

  • 0000705191

Structure Descriptors

InChI

1S/C6H9N3O3/c1-5-7-6(9(11)12)4-8(5)2-3-10/h4,10H,2-3H2,1H3

InChIKey

RSXWJXPKLRYMHW-UHFFFAOYSA-N

Smiles

OCCn1c(C)nc([N+]([O-])=O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.59 (none)   EXP
Water Solubility 7.89E+04 mg/L 25 EST
Vapor Pressure 3.05E-07 mm Hg 25 EST
Henry's Law Constant 1.69E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.30E-12 cm3/molecule-sec 25 EST

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