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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((4-pentyn-2-yl)oxy)methyl)-, chloride
RN: 117983-27-4
InChIKey: DUNVBKPFFWLPTC-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-((4'-pentyn-2'-yloxy)methyl)imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117983-27-4

System Generated Number

  • 0117983274

Molecular Formulas

Molecular Formula

  • C11-H16-N3-O2.Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

DUNVBKPFFWLPTC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 92783ug/kg (92.783mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.