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Substance Name: Pyridinium, 4-((hydroxyimino)methyl)-1-(((4-(3-methyl-1-oxobutyl)pyridinio)methoxy)methyl)-, diiodide, dihydrate
RN: 85126-25-6
InChIKey: OXRCXXQNADQXTA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O3.2I.2H2-O

Molecular Weight

  • 583.1977
 
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Names and Synonyms

Synonym

  • 1-(4-Hydroxyiminomethyl-1-pyridinio)-3-(4-isovaleryl-1-pyridinio)-2-oxapropane 2I 2H2-O

Systematic Name

  • Pyridinium, 4-((hydroxyimino)methyl)-1-(((4-(3-methyl-1-oxobutyl)pyridinio)methoxy)methyl)-, diiodide, dihydrate

Registry Numbers

CAS Registry Number

  • 85126-25-6

System Generated Number

  • 0085126256

Molecular Formulas

Molecular Formula

  • C18-H23-N3-O3.2I.2H2-O

Molecular Formula Fragments

  • C18-H23-N3-O3
  • COMPONENT
  • H2-O
  • I

Structure Descriptors

InChI

1S/C18H22N3O3.2HI/c1-18(2,3)17(22)16-6-10-21(11-7-16)14-24-13-20-8-4-15(5-9-20)12-19-23;;/h4-12H,13-14H2,1-3H3;2*1H/q+1;;/p-1

InChIKey

OXRCXXQNADQXTA-UHFFFAOYSA-M

Smiles

CC(C)(C)C(=O)c1cc[n+](cc1)COC[n+]2ccc(cc2)/C=N/O.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 32, Pg. 267, 1982.