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Substance Name: Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)
RN: 67465-56-9
InChIKey: TXGPIVGVTCQTLX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N2-O2.Br

Molecular Weight

  • 301.1823
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-1-methylpyridinium bromide piperidinocarboxylate (ester)
  • Ro 1-5419

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67465-56-9

System Generated Number

  • 0067465569

Molecular Formulas

Molecular Formula

  • C12-H17-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C12-H17-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N2O2.BrH/c1-13-7-5-6-11(10-13)16-12(15)14-8-3-2-4-9-14;/h5-7,10H,2-4,8-9H2,1H3;1H/q+1;/p-1

InChIKey

TXGPIVGVTCQTLX-UHFFFAOYSA-M

Smiles

C[n+]1cccc(c1)OC(=O)N2CCCCC2.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 329, 1956.