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Substance Name: 1-Butanone, 4-(4-(3-(2-chlorophenoxy)-2-hydroxypropyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
RN: 40943-86-0
InChIKey: HYQLUVBETRFFMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-F-N2-O3.2Cl-H

Molecular Weight

  • 507.858
 
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Names and Synonyms

Synonyms

  • 4-(4-(3-(2-Chlorophenoxy)-2-hydroxypropyl)-1-piperazinyl)-1-(4-fluorophenyl)-1-butanone 2HCl
  • N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-(2'-chlorophenoxy)-2-hydroxypropyl)piperazine 2HCl

Systematic Name

  • 1-Butanone, 4-(4-(3-(2-chlorophenoxy)-2-hydroxypropyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40943-86-0

System Generated Number

  • 0040943860

Molecular Formulas

Molecular Formula

  • C23-H28-Cl-F-N2-O3.2Cl-H

Molecular Formula Fragments

  • C23-H28-Cl-F-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28ClFN2O3.2ClH/c24-21-4-1-2-6-23(21)30-17-20(28)16-27-14-12-26(13-15-27)11-3-5-22(29)18-7-9-19(25)10-8-18;;/h1-2,4,6-10,20,28H,3,5,11-17H2;2*1H

InChIKey

HYQLUVBETRFFMB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)OCC(CN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 365mg/kg (365mg/kg)   United States Patent Document. Vol. #3869459,