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Substance Name: Isonipecotic acid, 1-(2-phenoxyethyl)-4-phenyl-, ethyl ester, hydrobromide
RN: 18729-31-2
InChIKey: PKYPVIJHPYKGNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O3.Br-H

Molecular Weight

  • 434.371
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenoxyethyl)-4-phenylisonipecotic acid ethyl ester hydrobromide
  • TA 27

Systematic Name

  • Isonipecotic acid, 1-(2-phenoxyethyl)-4-phenyl-, ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 18729-31-2

System Generated Number

  • 0018729312

Molecular Formulas

Molecular Formula

  • C22-H27-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C22-H27-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO3.BrH/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20;/h3-12H,2,13-18H2,1H3;1H

InChIKey

PKYPVIJHPYKGNV-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCOc2ccccc2)CC1)C(OCC)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 247, 1960.