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Substance Name: 1H-Imidazolium, 1-(5-hexynyl)-2-((hydroxyimino)methyl)-1-(methoxymethyl)-, chloride
RN: 117982-97-5
InChIKey: GLHGVYFOTUGMQD-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

  • 3-(Hex-5'-yn-1'-yl)-2-((hydroxyimino)methyl)-1-(methoxymethyl)imidazolium chloride

Systematic Name

  • 1H-Imidazolium, 1-(5-hexynyl)-2-((hydroxyimino)methyl)-1-(methoxymethyl)-, chloride

Registry Numbers

CAS Registry Number

  • 117982-97-5

System Generated Number

  • 0117982975

Molecular Formulas

Molecular Formula

  • C12-H18-N3-O2.Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

GLHGVYFOTUGMQD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 163mg/kg (163mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.