Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 15991-51-2
InChIKey: FSNVODMKTHKAHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N-O3.Cl-H

Molecular Weight

  • 478.029
 
* 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

Synonym

  • 1-(3,3-Diphenyl-2-propanonyl)-4-phenylisonipecotic acid ethyl ester hydrochloride

Systematic Name

  • Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 15991-51-2

System Generated Number

  • 0015991512

Molecular Formulas

Molecular Formula

  • C29-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C29-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31NO3.ClH/c1-2-33-28(32)29(25-16-10-5-11-17-25)18-20-30(21-19-29)22-26(31)27(23-12-6-3-7-13-23)24-14-8-4-9-15-24;/h3-17,27H,2,18-22H2,1H3;1H

InChIKey

FSNVODMKTHKAHE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 425mg/kg (425mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.