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Substance Name: Isonipecotic acid, 1-(2-(4-biphenylyloxy)ethyl)-4-phenyl-, ethyl ester, hydrobromide
RN: 103097-50-3
InChIKey: MGWJPRPZJJFVAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N-O3.Br-H

Molecular Weight

  • 510.469
 
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Names and Synonyms

Synonyms

  • 1-(2-(4-Biphenylyloxy)ethyl)-4-phenylisonipecotic acid ethyl ester hydrobromide
  • TA 51

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103097-50-3

System Generated Number

  • 0103097503

Molecular Formulas

Molecular Formula

  • C28-H31-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C28-H31-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31NO3.BrH/c1-2-31-27(30)28(25-11-7-4-8-12-25)17-19-29(20-18-28)21-22-32-26-15-13-24(14-16-26)23-9-5-3-6-10-23;/h3-16H,2,17-22H2,1H3;1H

InChIKey

MGWJPRPZJJFVAO-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCOc2ccc(c3ccccc3)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.