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Substance Name: Chlomizole
RN: 4897-31-8
InChIKey: BYQOKNIMGIDSHN-UHFFFAOYSA-N

Note

  • Russian drug.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H4-Cl-N3-O2

Molecular Weight

  • 161.548
 
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Names and Synonyms

Name of Substance

  • Chlomizole

Synonyms

  • 4-Chloro-1-methyl-5-nitroimidazole
  • 5-23-04-00493 (Beilstein Handbook Reference)
  • BRN 0144324
  • Chlomizole
  • Chloronizole
  • Imidazole, 4-chloro-1-methyl-5-nitro-
  • Khlomizol
  • NSC 46945

Systematic Names

  • 1H-Imidazole, 4-chloro-1-methyl-5-nitro- (9CI)
  • 4-Chloro-1-methyl-5-nitroimidazole
  • Imidazole, 4-chloro-1-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 4897-31-8

System Generated Number

  • 0004897318

Structure Descriptors

InChI

1S/C4H4ClN3O2/c1-7-2-6-3(5)4(7)8(9)10/h2H,1H3

InChIKey

BYQOKNIMGIDSHN-UHFFFAOYSA-N

Smiles

c1(c(ncn1C)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 158, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.69 (none)   EXP
Water Solubility 7060 mg/L 25 EST
Vapor Pressure 2.83E-04 mm Hg 25 EST
Henry's Law Constant 2.34E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-12 cm3/molecule-sec 25 EST

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