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Substance Name: Isonipecotic acid, 4-phenyl-1-(1-phenylcyclohexyl)-, ethyl ester, hydrobromide
RN: 102395-69-7
InChIKey: OLPHDIMRHSRJLO-UHFFFAOYSA-N

Molecular Formula

  • C26-H33-N-O2.Br-H

Molecular Weight

  • 472.464
 
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Names and Synonyms

Synonym

  • 4-Phenyl-4-carbethoxy-1-(1'-phenylcyclohexyl)piperidine hydrobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102395-69-7

System Generated Number

  • 0102395697

Molecular Formulas

Molecular Formula

  • C26-H33-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C26-H33-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33NO2.BrH/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23;/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;1H

InChIKey

OLPHDIMRHSRJLO-UHFFFAOYSA-N

Smiles

C1([NH+]2CCC(c3ccccc3)(C(OCC)=O)CC2)(c2ccccc2)CCCCC1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11023,