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Substance Name: Isonipecotic acid, 1-(2-(10,11-dihydro-5-hydroxy-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 15991-27-2
InChIKey: OSYDTQRKKJVBON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H35-N-O3.Cl-H

Molecular Weight

  • 506.082
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 15991-27-2

System Generated Number

  • 0015991272

Molecular Formulas

Molecular Formula

  • C31-H35-N-O3.Cl-H

Molecular Formula Fragments

  • C31-H35-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H35NO3.ClH/c1-2-35-29(33)30(26-12-4-3-5-13-26)18-21-32(22-19-30)23-20-31(34)27-14-8-6-10-24(27)16-17-25-11-7-9-15-28(25)31;/h3-15,34H,2,16-23H2,1H3;1H

InChIKey

OSYDTQRKKJVBON-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC2(c3c(CCc4c2cccc4)cccc3)O)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.