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Substance Name: Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)
RN: 67465-57-0
InChIKey: POASDTRUAQPBHZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N-O2.Br

Molecular Weight

  • 246.1028
 
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Names and Synonyms

Synonyms

  • 3-Hydroxymethyl-1-methylpyridinium bromide acetate (ester)
  • Ro 1-5240

Systematic Name

  • Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)

Registry Numbers

CAS Registry Number

  • 67465-57-0

System Generated Number

  • 0067465570

Molecular Formulas

Molecular Formula

  • C9-H12-N-O2.Br

Molecular Formula Fragments

  • Br
  • C9-H12-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12NO2.BrH/c1-8(11)12-7-9-4-3-5-10(2)6-9;/h3-6H,7H2,1-2H3;1H/q+1;/p-1

InChIKey

POASDTRUAQPBHZ-UHFFFAOYSA-M

Smiles

CC(=O)OCc1ccc[n+](c1)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 270mg/kg (270mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 330, 1956.