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Substance Name: 1-Butanone, 4-(4-(2-(3,5-dimethylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
RN: 51934-59-9
InChIKey: ATIJNMNUDMHMTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-F-N2-O2.2Cl-H

Molecular Weight

  • 471.4407
 
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Names and Synonyms

  • 1-Butanone, 4-(4-(2-(3,5-dimethylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 51934-59-9

System Generated Number

  • 0051934599

Molecular Formulas

Molecular Formula

  • C24-H31-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C24-H31-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31FN2O2.2ClH/c1-19-16-20(2)18-23(17-19)29-15-14-27-12-10-26(11-13-27)9-3-4-24(28)21-5-7-22(25)8-6-21;;/h5-8,16-18H,3-4,9-15H2,1-2H3;2*1H

InChIKey

ATIJNMNUDMHMTK-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1)OCCN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 297mg/kg (297mg/kg)   United States Patent Document. Vol. #4064128,