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Substance Name: 1H-Imidazolium, 1-(((1-hexyn-3-yl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117983-24-1
InChIKey: UNPXDDNCTGMRFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N3-O2.Cl

Molecular Weight

  • 271.7462
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117983-24-1

System Generated Number

  • 0117983241

Molecular Formulas

Molecular Formula

  • C12-H18-N3-O2.Cl

Molecular Formula Fragments

  • C12-H18-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N3O2.ClH/c1-4-6-11(5-2)17-10-15-8-7-14(3)12(15)9-13-16;/h2,7-9,11H,4,6,10H2,1,3H3;1H

InChIKey

UNPXDDNCTGMRFE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 89680ug/kg (89.68mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.