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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((1-phenyl-1-pentyn-3-yl)oxy)methyl)-, chloride
RN: 117983-40-1
InChIKey: DYXHULGPFWWSFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N3-O2.Cl

Molecular Weight

  • 333.817
 
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Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-3-methyl-1-(((1-phenyl-1-pentyn-3-yl)oxy)methyl)imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117983-40-1

System Generated Number

  • 0117983401

Molecular Formulas

Molecular Formula

  • C17-H20-N3-O2.Cl

Molecular Formula Fragments

  • C17-H20-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19N3O2.ClH/c1-3-16(10-9-15-7-5-4-6-8-15)22-14-20-12-11-19(2)17(20)13-18-21;/h4-8,11-13,16H,3,14H2,1-2H3;1H

InChIKey

DYXHULGPFWWSFI-UHFFFAOYSA-N

Smiles

CCC(C#Cc1ccccc1)OCn2cc[n+](c2/C=N/O)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.