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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((phenylmethyl)oxy)methyl)-, chloride
RN: 91900-15-1
InChIKey: PRSGGQYVNLJACX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N3-O2.Cl

Molecular Weight

  • 281.7414
 
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Names and Synonyms

Synonyms

  • 1-((Benzyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride
  • 2-((Hydroxyimino)methyl)-3-methyl-1-(((phenylmethyl)oxy)methyl)-1H-imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91900-15-1

System Generated Number

  • 0091900151

Molecular Formulas

Molecular Formula

  • C13-H16-N3-O2.Cl

Molecular Formula Fragments

  • C13-H16-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C13H15N3O2.ClH/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12;/h2-9H,10-11H2,1H3;1H

InChIKey

PRSGGQYVNLJACX-UHFFFAOYSA-N

Smiles

C[n+]1ccn(c1/C=N/O)COCc2ccccc2.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 183mg/kg (183mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.30E+00 (none)   EXP
Water Solubility 2.02E+05 mg/L 25 EST
Vapor Pressure 1.57E-10 mm Hg 25 EST
Henry's Law Constant 1.07E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-10 cm3/molecule-sec 25 EST

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