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Substance Name: Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-phenyl-,ethyl ester, hydrochloride
RN: 14170-88-8
InChIKey: HTDXYXIYEDJZRK-GOSREXKOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H33-N-O2.Cl-H

Molecular Weight

  • 488.068
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 14170-88-8

System Generated Number

  • 0014170888

Molecular Formulas

Molecular Formula

  • C31-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C31-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H33NO2.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;/h3-15,18,21,29H,2,16-17,19-20,22-23H2,1H3;1H/b21-18+;

InChIKey

HTDXYXIYEDJZRK-GOSREXKOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.
mouse LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.