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Substance Name: Pyridinium, 1-methyl-4-((2-oxocyclohexylidene)methyl)-, iodide
RN: 13640-49-8
InChIKey: HWQRBODRPKBVQI-VHPXAQPISA-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-4-((2-oxocyclohexylidene)methyl)pyridinium iodide

Systematic Name

  • Pyridinium, 1-methyl-4-((2-oxocyclohexylidene)methyl)-, iodide

Registry Numbers

CAS Registry Number

  • 13640-49-8

System Generated Number

  • 0013640498

Molecular Formulas

Molecular Formula

  • C13-H16-N-O.I

Molecular Formula Fragments

  • C13-H16-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H16NO.HI/c1-14-8-6-11(7-9-14)10-12-4-2-3-5-13(12)15;/h6-10H,2-5H2,1H3;1H/q+1;/p-1/b12-10+;

InChIKey

HWQRBODRPKBVQI-VHPXAQPISA-M

Smiles

c1cc(cc[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.