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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((4-pentynyloxy)methyl-, chloride
RN: 117983-30-9
InChIKey: GGDRLTWGOIYOFH-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-5'-yloxy)methyl)imidazolium chloride

Systematic Name

  • 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((4-pentynyloxy)methyl-, chloride

Registry Numbers

CAS Registry Number

  • 117983-30-9

System Generated Number

  • 0117983309

Molecular Formulas

Molecular Formula

  • C11-H16-N3-O2.Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

GGDRLTWGOIYOFH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 108mg/kg (108mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.