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Substance Name: Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 14120-78-6
InChIKey: XFTRVYGFZLNZEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H35-N-O2.Cl-H

Molecular Weight

  • 490.083
 
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Names and Synonyms

  • Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14120-78-6

System Generated Number

  • 0014120786

Molecular Formulas

Molecular Formula

  • C31-H35-N-O2.Cl-H

Molecular Formula Fragments

  • C31-H35-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H35NO2.ClH/c1-2-34-30(33)31(26-12-4-3-5-13-26)19-22-32(23-20-31)21-18-29-27-14-8-6-10-24(27)16-17-25-11-7-9-15-28(25)29;/h3-15,29H,2,16-23H2,1H3;1H

InChIKey

XFTRVYGFZLNZEZ-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC2c3c(CCc4c2cccc4)cccc3)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.