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Substance Name: Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,4-dimethoxyphenyl)-2-propenyl)-, (E)-2-butenedioate (1:1)
RN: 104690-91-7
InChIKey: XATDEINGYGBGQZ-AVRNHWNZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-F2-N2-O2.C4-H4-O4

Molecular Weight

  • 580.6246
 
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Names and Synonyms

Synonym

  • 1-(Bis(4-fluorophenyl)methyl)-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Systematic Name

  • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,4-dimethoxyphenyl)-2-propenyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 104690-91-7

System Generated Number

  • 0104690917

Molecular Formulas

Molecular Formula

  • C28-H30-F2-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C28-H30-F2-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30F2N2O2.C4H4O4/c1-33-26-14-9-21(27(20-26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-5-10-24(29)11-6-22)23-7-12-25(30)13-8-23;5-3(6)1-2-4(7)8/h3-14,20,28H,15-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b4-3+;2-1+

InChIKey

XATDEINGYGBGQZ-AVRNHWNZSA-N

Smiles

COc1ccc(c(c1)OC)/C=C/CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 102mg/kg (102mg/kg)   European Patent Application. Vol. #0187639,