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Substance Name: 1H-Imidazolium, 1-((2,3-butadienyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117982-99-7
InChIKey: NSBJPDWNYWFXNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N3-O2.Cl

Molecular Weight

  • 243.6926
 
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Names and Synonyms

Synonym

  • 1-((1',2'-Butadien-4'-yloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117982-99-7

System Generated Number

  • 0117982997

Molecular Formulas

Molecular Formula

  • C10-H14-N3-O2.Cl

Molecular Formula Fragments

  • C10-H14-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C10H13N3O2.ClH/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14;/h4-6,8H,1,7,9H2,2H3;1H

InChIKey

NSBJPDWNYWFXNJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 115mg/kg (115mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.