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Substance Name: Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromide
RN: 14120-84-4
InChIKey: VEIYSFBRYDMOOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H35-N-O3.Br-H

Molecular Weight

  • 518.093
 
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Names and Synonyms

  • Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 14120-84-4

System Generated Number

  • 0014120844

Molecular Formulas

Molecular Formula

  • C32-H35-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C32-H35-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C32H35NO3.ClH/c1-2-36-31(35)32(26-12-4-3-5-13-26)19-22-33(23-20-32)21-18-29(34)30-27-14-8-6-10-24(27)16-17-25-11-7-9-15-28(25)30;/h3-15,30H,2,16-23H2,1H3;1H

InChIKey

VEIYSFBRYDMOOS-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC(C2c3c(CCc4c2cccc4)cccc3)=O)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.