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Substance Name: Pyridinium, 3-hydroxy-1-methyl-, bromide, benzoate (ester)
RN: 67465-51-4
InChIKey: IZSMDKWVMDLDCB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N-O2.Br

Molecular Weight

  • 294.1468
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-1-methylpyridinium bromide benzoate (ester)
  • Ro 1-5238

Systematic Name

  • Pyridinium, 3-hydroxy-1-methyl-, bromide, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 67465-51-4

System Generated Number

  • 0067465514

Molecular Formulas

Molecular Formula

  • C13-H12-N-O2.Br

Molecular Formula Fragments

  • Br
  • C13-H12-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H12NO2.BrH/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11;/h2-10H,1H3;1H/q+1;/p-1

InChIKey

IZSMDKWVMDLDCB-UHFFFAOYSA-M

Smiles

C[n+]1cccc(c1)OC(=O)c2ccccc2.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 152mg/kg (152mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 330, 1956.