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Substance Name: Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,3,4-trimethoxyphenyl)-2-propenyl)-, dihydrochloride
RN: 104690-85-9
InChIKey: YFAXBPFVXLCKEI-SFKRKKMESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-F2-N2-O3.2Cl-H

Molecular Weight

  • 567.5006
 
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Names and Synonyms

Synonym

  • 1-(Bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride

Systematic Name

  • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,3,4-trimethoxyphenyl)-2-propenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104690-85-9

System Generated Number

  • 0104690859

Molecular Formulas

Molecular Formula

  • C29-H32-F2-N2-O3.2Cl-H

Molecular Formula Fragments

  • C29-H32-F2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H32F2N2O3.2ClH/c1-34-26-15-10-23(28(35-2)29(26)36-3)5-4-16-32-17-19-33(20-18-32)27(21-6-11-24(30)12-7-21)22-8-13-25(31)14-9-22;;/h4-15,27H,16-20H2,1-3H3;2*1H/b5-4+;;

InChIKey

YFAXBPFVXLCKEI-SFKRKKMESA-N

Smiles

N1(CCN(CC1)C\C=C\c1c(c(c(cc1)OC)OC)OC)C(c1ccc(cc1)F)c1ccc(cc1)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 185mg/kg (185mg/kg)   European Patent Application. Vol. #0187639,