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Substance Name: 1H-Imidazolium, 1,3-(trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride
RN: 117941-42-1
InChIKey: RTIRHVWYFZVLKC-XXEVLHNISA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N6-O2.2Cl

Molecular Weight

  • 361.2312
 
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Names and Synonyms

Synonym

  • 1,3-(Trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-1H-imidazolium chloride)

Systematic Name

  • 1H-Imidazolium, 1,3-(trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride

Registry Numbers

CAS Registry Number

  • 117941-42-1

System Generated Number

  • 0117941421

Molecular Formulas

Molecular Formula

  • C13-H20-N6-O2.2Cl

Molecular Formula Fragments

  • C13-H20-N6-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20N6O2.2ClH/c1-16-6-8-18(12(16)10-14-20)4-3-5-19-9-7-17(2)13(19)11-15-21;;/h3-4,6-13,20-21H,5H2,1-2H3;2*1H/p-4/b4-3+,14-10+,15-11+;;

InChIKey

RTIRHVWYFZVLKC-XXEVLHNISA-J

Smiles

CN1C=CN(C1/C=N/[O-])C/C=C/N2C=CN(C2/C=N/[O-])C.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 45045ug/kg (45.045mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.