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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-methyl-3-butenyl)oxy)methyl)-, chloride
RN: 117983-17-2
InChIKey: QPWIVMBTUKPWBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N3-O2.Cl

Molecular Weight

  • 259.7352
 
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Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-3-methyl-1-(((3-methyl-3-butenyl)oxy)methyl)imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117983-17-2

System Generated Number

  • 0117983172

Molecular Formulas

Molecular Formula

  • C11-H18-N3-O2.Cl

Molecular Formula Fragments

  • C11-H18-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17N3O2.ClH/c1-10(2)4-7-16-9-14-6-5-13(3)11(14)8-12-15;/h5-6,8H,1,4,7,9H2,2-3H3;1H

InChIKey

QPWIVMBTUKPWBR-UHFFFAOYSA-N

Smiles

CC(=C)CCOC[n+]1ccn(c1/C=N/O)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 112mg/kg (112mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.