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Substance Name: Pyridinium, 3-acetyl-1-benzyl-, chloride
RN: 5096-12-8
InChIKey: UOWKGIUYMOGOMF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N-O.Cl

Molecular Weight

  • 247.724
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-1-benzylpyridinium chloride
  • NSC 51898

Systematic Name

  • Pyridinium, 3-acetyl-1-benzyl-, chloride

Registry Numbers

CAS Registry Number

  • 5096-12-8

System Generated Number

  • 0005096128

Molecular Formulas

Molecular Formula

  • C14-H14-N-O.Cl

Molecular Formula Fragments

  • C14-H14-N-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14NO.ClH/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13;/h2-9,11H,10H2,1H3;1H/q+1;/p-1

InChIKey

UOWKGIUYMOGOMF-UHFFFAOYSA-M

Smiles

c1c(ccc[n+]1Cc1ccccc1)C(=O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 208mg/kg (208mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 44, 1966.
mouse LD50 subcutaneous 857mg/kg (857mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 44, 1966.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 44, 1966.