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Substance Name: 1-Butanone, 4-(4-(2-(4-chloro-2-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
RN: 40987-15-3
InChIKey: POOGEETUOKYQOK-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

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

Registry Numbers

CAS Registry Number

  • 40987-15-3

System Generated Number

  • 0040987153

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

InChIKey

POOGEETUOKYQOK-UHFFFAOYSA-N

Smiles

Cc1cc(ccc1OCCN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4064128,