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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-methyl-4-pentyn-2-yl)oxy)methyl)-, chloride
RN: 117983-28-5
InChIKey: LNKFRVRCGODLNB-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

  • 2-((Hydroxyimino)methyl)-3-methyl-1-((3-methyl-1-pentyn-4-yloxy)methyl)imidazolium chloride

Systematic Name

  • 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-methyl-4-pentyn-2-yl)oxy)methyl)-, chloride

Registry Numbers

CAS Registry Number

  • 117983-28-5

System Generated Number

  • 0117983285

Molecular Formulas

Molecular Formula

  • C12-H18-N3-O2.Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C12H17N3O2.ClH/c1-5-10(2)11(3)17-9-15-7-6-14(4)12(15)8-13-16;/h1,6-8,10-11H,9H2,2-4H3;1H

InChIKey

LNKFRVRCGODLNB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 73374ug/kg (73.374mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.