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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((1-naphthalenylmethoxy)methyl)-, chloride
RN: 91900-17-3
InChIKey: QGGXNMYRWYGBRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N3-O2.Cl

Molecular Weight

  • 331.8012
 
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Names and Synonyms

Synonyms

  • 2-((Hydroxyimino)methyl)-1-methyl-3-((1-naphthalenylmethoxy)methyl)-1H-imidazolium chloride
  • 2-((Hydroxyimino)methyl)-3-methyl-1-(((1'-methylnaphthyl)-1'-oxy)methyl)imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91900-17-3

System Generated Number

  • 0091900173

Molecular Formulas

Molecular Formula

  • C17-H18-N3-O2.Cl

Molecular Formula Fragments

  • C17-H18-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N3O2.ClH/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15;/h2-11H,12-13H2,1H3;1H

InChIKey

QGGXNMYRWYGBRV-UHFFFAOYSA-N

Smiles

Cn1cc[n+](c1/C=N/O)COCc2cccc3c2cccc3.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 14268ug/kg (14.268mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.36 (none)   EXP
Water Solubility 1.62E+04 mg/L 25 EST
Vapor Pressure 3.61E-13 mm Hg 25 EST
Henry's Law Constant 1.05E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-10 cm3/molecule-sec 25 EST

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