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Substance Name: Pyridinium, 3-hydroxy-1-methyl-, bromide, N-benzyl-N-methylcarbamate (ester)
RN: 67465-52-5
InChIKey: NJSQPRDVUCXFKH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H27-N2-O2.Br

Molecular Weight

  • 337.2153
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-1-methylpyridinium bromide N-benzyl-N-methylcarbamate (ester)
  • Ro 1-5418

Systematic Name

  • Pyridinium, 3-hydroxy-1-methyl-, bromide, N-benzyl-N-methylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 67465-52-5

System Generated Number

  • 0067465525

Molecular Formulas

Molecular Formula

  • C15-H27-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C15-H27-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17N2O2.BrH/c1-16-10-6-9-14(12-16)19-15(18)17(2)11-13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1

InChIKey

NJSQPRDVUCXFKH-UHFFFAOYSA-M

Smiles

C[n+]1cccc(c1)OC(=O)N(C)Cc2ccccc2.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6mg/kg (6mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 329, 1956.