Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride
RN: 112446-93-2
InChIKey: SNCMBOLLEKEJPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2-O.2Cl-H

Molecular Weight

  • 449.4626
 
* 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-(4-Cyclopentylphenyl)-4-(4-phenyl-1-piperazinyl)-1-butanone dihydrochloride

Systematic Name

  • 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 112446-93-2

System Generated Number

  • 0112446932

Molecular Formulas

Molecular Formula

  • C25-H32-N2-O.2Cl-H

Molecular Formula Fragments

  • C25-H32-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32N2O.2ClH/c28-25(23-14-12-22(13-15-23)21-7-4-5-8-21)11-6-16-26-17-19-27(20-18-26)24-9-2-1-3-10-24;;/h1-3,9-10,12-15,21H,4-8,11,16-20H2;2*1H

InChIKey

SNCMBOLLEKEJPO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CCCC(=O)c3ccc(cc3)C4CCCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.