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Substance Name: Pyridinium, 1-methyl-3-((2-oxocyclohexylidene)methyl)-, iodide
RN: 13640-48-7
InChIKey: BMZHTSJXDJOKQT-NBYYMMLRSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N-O.I

Molecular Weight

  • 329.175
 
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Names and Synonyms

Synonym

  • 1-Methyl-3-((2-oxocyclohexylidene)methyl)pyridinium iodide

Systematic Name

  • Pyridinium, 1-methyl-3-((2-oxocyclohexylidene)methyl)-, iodide

Registry Numbers

CAS Registry Number

  • 13640-48-7

System Generated Number

  • 0013640487

Molecular Formulas

Molecular Formula

  • C13-H16-N-O.I

Molecular Formula Fragments

  • C13-H16-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H16NO.HI/c1-14-8-4-5-11(10-14)9-12-6-2-3-7-13(12)15;/h4-5,8-10H,2-3,6-7H2,1H3;1H/q+1;/p-1/b12-9+;

InChIKey

BMZHTSJXDJOKQT-NBYYMMLRSA-M

Smiles

c1c(ccc[n+]1C)\C=C1\C(CCCC1)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 147mg/kg (147mg/kg) BEHAVIORAL: EXCITEMENT Journal of Pharmaceutical Sciences. Vol. 56, Pg. 644, 1967.