Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotic acid, 1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-, ethyl ester, hydrobromide
RN: 14120-85-5
InChIKey: PSSMPEOGGKKDRX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H33-N-O3.Br-H

Molecular Weight

  • 536.507
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(4,4-Diphenyl-3-oxobutyl)-4-carbethoxy-4-phenylpiperidine hydrobromide
  • 4-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-, ethyl ester, HBr

Systematic Name

  • Isonipecotic acid, 1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-, ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 14120-85-5

System Generated Number

  • 0014120855

Molecular Formulas

Molecular Formula

  • C30-H33-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C30-H33-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H33NO3.BrH/c1-2-34-29(33)30(26-16-10-5-11-17-26)19-22-31(23-20-30)21-18-27(32)28(24-12-6-3-7-13-24)25-14-8-4-9-15-25;/h3-17,28H,2,18-23H2,1H3;1H

InChIKey

PSSMPEOGGKKDRX-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC(C(c2ccccc2)c2ccccc2)=O)CC1)C(OCC)=O.[BrH-]

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.