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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((1-pentyn-3-yl)oxy)methyl)-, chloride
RN: 117983-23-0
InChIKey: LHIGRDZOEWINMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N3-O2.Cl

Molecular Weight

  • 257.7194
 
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Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-3-methyl-1-((1'-pentyn-3'-yloxy)methyl)imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117983-23-0

System Generated Number

  • 0117983230

Molecular Formulas

Molecular Formula

  • C11-H16-N3-O2.Cl

Molecular Formula Fragments

  • C11-H16-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15N3O2.ClH/c1-4-10(5-2)16-9-14-7-6-13(3)11(14)8-12-15;/h1,6-8,10H,5,9H2,2-3H3;1H

InChIKey

LHIGRDZOEWINMR-UHFFFAOYSA-N

Smiles

CCC(C#C)OCn1cc[n+](c1/C=N/O)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 111mg/kg (111mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.