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Substance Name: Imidazole-1-ethanol, alpha-(ethoxymethyl)-2-nitro-
RN: 65988-94-5
InChIKey: XLUFVYWWUQRZCL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C8-H13-N3-O4

Molecular Weight

  • 215.2077
 
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Names and Synonyms

Synonyms

  • alpha-(Ethoxymethyl)-2-nitroimidazole-1-ethanol
  • Ro-07-0913

Systematic Name

  • Imidazole-1-ethanol, alpha-(ethoxymethyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 65988-94-5

System Generated Number

  • 0065988945

Structure Descriptors

InChI

1S/C8H13N3O4/c1-2-15-6-7(12)5-10-4-3-9-8(10)11(13)14/h3-4,7,12H,2,5-6H2,1H3

InChIKey

XLUFVYWWUQRZCL-UHFFFAOYSA-N

Smiles

CCOCC(O)Cn1ccnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4371540,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.04 (none)   EXP
Water Solubility 1.37E+04 mg/L 25 EST
Vapor Pressure 4.09E-08 mm Hg 25 EST
Henry's Law Constant 3.17E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.92E-11 cm3/molecule-sec 25 EST

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