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Substance Name: 1-Butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
RN: 37133-92-9
InChIKey: UNDWSKMTFBEWED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-Cl-F-N2-O2.2Cl-H

Molecular Weight

  • 477.832
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 37133-92-9

System Generated Number

  • 0037133929

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C22-H26-Cl-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClFN2O2.2ClH/c23-19-5-9-21(10-6-19)28-17-16-26-14-12-25(13-15-26)11-1-2-22(27)18-3-7-20(24)8-4-18;;/h3-10H,1-2,11-17H2;2*1H

InChIKey

UNDWSKMTFBEWED-UHFFFAOYSA-N

Smiles

C(=O)(c1ccc(cc1)F)CCCN1CCN(CC1)CCOc1ccc(cc1)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 336mg/kg (336mg/kg)   United States Patent Document. Vol. #4064128,