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Substance Name: Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide
RN: 102207-22-7
InChIKey: NYUAJQJKNBJNLR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N2-O.Br

Molecular Weight

  • 337.2589
 
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Names and Synonyms

Synonyms

  • 1-(2-Cyanoethyl)-1-phenacylpiperidinium bromide
  • N-Phenacyl-(beta-cyanoethyl)-piperidinium bromide

Systematic Name

  • Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide

Registry Numbers

CAS Registry Number

  • 102207-22-7

System Generated Number

  • 0102207227

Molecular Formulas

Molecular Formula

  • C16-H21-N2-O.Br

Molecular Formula Fragments

  • Br
  • C16-H21-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21N2O.BrH/c17-10-7-13-18(11-5-2-6-12-18)14-16(19)15-8-3-1-4-9-15;/h1,3-4,8-9H,2,5-7,11-14H2;1H/q+1;/p-1

InChIKey

NYUAJQJKNBJNLR-UHFFFAOYSA-M

Smiles

[N+]1(CCCCC1)(CC(=O)c1ccccc1)CCC#N.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives Internationales de Pharmacodynamie et de Therapie. Vol. 105, Pg. 285, 1956.