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Substance Name: Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-
RN: 60628-92-4
InChIKey: WLOXDXOPKNBBFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N3-O3

Molecular Weight

  • 185.1819
 
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Names and Synonyms

Synonyms

  • 2-Nitro-alpha,alpha,1-trimethylimidazole-5-methanol
  • 5-(2-Hydroxy-2-propyl)-1-methyl-2-nitroimidazole
  • 5-23-11-00043 (Beilstein Handbook Reference)
  • BRN 0882890
  • Imidazole, 5-(2-hydroxy-2-propyl)-1-methyl-2-nitro-
  • L 12134
  • NSC 298515

Systematic Name

  • Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-

Registry Numbers

CAS Registry Number

  • 60628-92-4

System Generated Number

  • 0060628924

Structure Descriptors

InChI

1S/C7H11N3O3/c1-7(2,11)5-4-8-6(9(5)3)10(12)13/h4,11H,1-3H3

InChIKey

WLOXDXOPKNBBFP-UHFFFAOYSA-N

Smiles

Cn1c(ncc1C(C)(C)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1522, 1977.
mouse LD50 oral 698mg/kg (698mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Journal of Medicinal Chemistry. Vol. 21, Pg. 781, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.43 (none)   EXP
Water Solubility 9080 mg/L 25 EST
Vapor Pressure 5.81E-07 mm Hg 25 EST
Henry's Law Constant 2.25E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EST

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