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Substance Name: 1-Butanone, 4-(4-(2-(2-chloro-5-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
RN: 40986-93-4
InChIKey: IWUSUMMOLRRGKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-F-N2-O2.2Cl-H

Molecular Weight

  • 491.859
 
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Names and Synonyms

Synonym

  • N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(2-(2'-chloro-5'-methylphenoxy)ethyl)piperazine 2HCl

Systematic Name

  • 1-Butanone, 4-(4-(2-(2-chloro-5-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40986-93-4

System Generated Number

  • 0040986934

Molecular Formulas

Molecular Formula

  • C23-H28-Cl-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C23-H28-Cl-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28ClFN2O2.2ClH/c1-18-4-9-21(24)23(17-18)29-16-15-27-13-11-26(12-14-27)10-2-3-22(28)19-5-7-20(25)8-6-19;;/h4-9,17H,2-3,10-16H2,1H3;2*1H

InChIKey

IWUSUMMOLRRGKZ-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)OCCN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 464mg/kg (464mg/kg)   United States Patent Document. Vol. #3969356,