Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-phenyl-2-propenyl)oxy)methyl)-, chloride, (?,E)-
RN: 117983-39-8
InChIKey: FCPZQUBCYSQZFZ-HGKIGUAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N3-O2.Cl

Molecular Weight

  • 307.779
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-3-methyl-1-(((3-phenyl-2(E)-propen-1-yl)oxy)methyl)imidazolium Cl

Systematic Name

  • 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-phenyl-2-propenyl)oxy)methyl)-, chloride, (?,E)-

Registry Numbers

CAS Registry Number

  • 117983-39-8

System Generated Number

  • 0117983398

Molecular Formulas

Molecular Formula

  • C15-H18-N3-O2.Cl

Molecular Formula Fragments

  • C15-H18-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17N3O2.ClH/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14;/h2-10,12H,11,13H2,1H3;1H/b8-5-;

InChIKey

FCPZQUBCYSQZFZ-HGKIGUAWSA-N

Smiles

Cn1c(\C=N\O)[n+](COC\C=C/c2ccccc2)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 265mg/kg (265mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.55 (none)   EXP
Water Solubility 3.26E+04 mg/L 25 EST
Vapor Pressure 1.59E-11 mm Hg 25 EST
Henry's Law Constant 7.80E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.67E-10 cm3/molecule-sec 25 EST

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