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Substance Name: WR 254416
RN: 117983-25-2
InChIKey: DORZSPXXJAIBKW-UHFFFAOYSA-N

Note

  • Antidotal agent against organophosphate nerve agents.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N3-O2.Cl

Molecular Weight

  • 243.693
 
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Names and Synonyms

Name of Substance

  • WR 254416

Synonym

  • 1-((3'-Butyn-1'-yloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Systematic Name

  • 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 117983-25-2

System Generated Number

  • 0117983252

Molecular Formulas

Molecular Formula

  • C10-H14-N3-O2.Cl

Molecular Formula Fragments

  • C10-H14-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C10H13N3O2.ClH/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14;/h1,5-6,8H,4,7,9H2,2H3;1H

InChIKey

DORZSPXXJAIBKW-UHFFFAOYSA-N

Smiles

Cn1c(\C=N\O)[n+](COCCC#C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 151mg/kg (151mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.36E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 7.46E-09 mm Hg 25 EST
Henry's Law Constant 3.84E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-10 cm3/molecule-sec 25 EST

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