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Substance Name: Isonipecotic acid, 1-(2-(p-carboxyphenoxy)ethyl)-4-phenyl-, diethyl ester, hydrobromide
RN: 102895-60-3
InChIKey: XJYDTSUUPWMCKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O5.Br-H

Molecular Weight

  • 506.434
 
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Names and Synonyms

Synonyms

  • 1-(2-(p-Carboxyphenoxy)ethyl)-4-phenylisonipecotic acid diethyl ester hydrobromide
  • TA 43

Systematic Name

  • Isonipecotic acid, 1-(2-(p-carboxyphenoxy)ethyl)-4-phenyl-, diethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 102895-60-3

System Generated Number

  • 0102895603

Molecular Formulas

Molecular Formula

  • C25-H31-N-O5.Br-H

Molecular Formula Fragments

  • Br-H
  • C25-H31-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO5.BrH/c1-3-29-23(27)20-10-12-22(13-11-20)31-19-18-26-16-14-25(15-17-26,24(28)30-4-2)21-8-6-5-7-9-21;/h5-13H,3-4,14-19H2,1-2H3;1H

InChIKey

XJYDTSUUPWMCKC-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCOc2ccc(C(OCC)=O)cc2)CC1)C(OCC)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 247, 1960.