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Substance Name: Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,4-dimethoxyphenyl)methyl)-, hydrochloride, hydrate (1:2:2)
RN: 101477-47-8
InChIKey: QECBWBIAULYYLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-F2-N2-O2.2Cl-H.2H2-O

Molecular Weight

  • 511.437
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Dimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride dihydrate
  • 1-(Bis(4-fluorophenyl)methyl)-4-((2,4-dimethoxyphenyl)methyl)piperazine 2HCl dihydrate

Systematic Name

  • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,4-dimethoxyphenyl)methyl)-, hydrochloride, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 101477-47-8

System Generated Number

  • 0101477478

Molecular Formulas

Molecular Formula

  • C26-H28-F2-N2-O2.2Cl-H.2H2-O

Molecular Formula Fragments

  • C26-H28-F2-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H28F2N2O2.2ClH/c1-31-24-12-7-21(25(17-24)32-2)18-29-13-15-30(16-14-29)26(19-3-8-22(27)9-4-19)20-5-10-23(28)11-6-20;;/h3-12,17,26H,13-16,18H2,1-2H3;2*1H

InChIKey

QECBWBIAULYYLY-UHFFFAOYSA-N

Smiles

COc1ccc(c(c1)OC)CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 225mg/kg (225mg/kg)   European Patent Application. Vol. #159566,