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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((((4-(trifluoromethyl)phenyl)methyl)oxy)methyl)-, chloride
RN: 117983-33-2
InChIKey: ZROSDADUKSAGPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-F3-N3-O2.Cl

Molecular Weight

  • 349.7385
 
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Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-3-methyl-1-((4-(trifluoromethyl)benzyloxy)methyl)imidazolium chloride

Systematic Name

  • 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((((4-(trifluoromethyl)phenyl)methyl)oxy)methyl)-, chloride

Registry Numbers

CAS Registry Number

  • 117983-33-2

System Generated Number

  • 0117983332

Molecular Formulas

Molecular Formula

  • C14-H15-F3-N3-O2.Cl

Molecular Formula Fragments

  • C14-H15-F3-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14F3N3O2.ClH/c1-19-6-7-20(13(19)8-18-21)10-22-9-11-2-4-12(5-3-11)14(15,16)17;/h2-8H,9-10H2,1H3;1H

InChIKey

ZROSDADUKSAGPB-UHFFFAOYSA-N

Smiles

Cn1cc[n+](c1/C=N/O)COCc2ccc(cc2)C(F)(F)F.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 455mg/kg (455mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.