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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(2-methylphenoxy)propyl)-1-piperazinyl)-, dihydrochloride
RN: 40943-87-1
InChIKey: BQZLPKBLQMQCTF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-F-N2-O3.2Cl-H

Molecular Weight

  • 487.4397
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-4-(4-(2-hydroxy-3-(2-methylphenoxy)propyl)-1-piperazinyl)-1-butanone 2HCl
  • N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-(2'-methylphenoxy)-2-hydroxypropoxy)piperazine 2HCl

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(2-methylphenoxy)propyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40943-87-1

System Generated Number

  • 0040943871

Molecular Formulas

Molecular Formula

  • C24-H31-F-N2-O3.2Cl-H

Molecular Formula Fragments

  • C24-H31-F-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31FN2O3.2ClH/c1-19-5-2-3-7-24(19)30-18-22(28)17-27-15-13-26(14-16-27)12-4-6-23(29)20-8-10-21(25)11-9-20;;/h2-3,5,7-11,22,28H,4,6,12-18H2,1H3;2*1H

InChIKey

BQZLPKBLQMQCTF-UHFFFAOYSA-N

Smiles

Cc1ccccc1OCC(CN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 390mg/kg (390mg/kg)   United States Patent Document. Vol. #3869459,