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Substance Name: Piperazine, 4-(4,4-bis(p-fluorophenyl)butyl)-1-(2-(N-butyl-N-(4'-phenylcyclohexyl)amino)ethyl)-, trihydrochloride, (E)-
RN: 63698-42-0
InChIKey: UFYCBIZMFYBRRB-DMDRDUHZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H51-F2-N3.3Cl-H

Molecular Weight

  • 697.2206
 
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Names and Synonyms

Synonym

  • M.G. 18039-3HCl

Systematic Name

  • Piperazine, 4-(4,4-bis(p-fluorophenyl)butyl)-1-(2-(N-butyl-N-(4'-phenylcyclohexyl)amino)ethyl)-, trihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 63698-42-0

System Generated Number

  • 0063698420

Molecular Formulas

Molecular Formula

  • C38-H51-F2-N3.3Cl-H

Molecular Formula Fragments

  • C38-H51-F2-N3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H51F2N3.3ClH/c1-2-3-23-41-24-25-42-26-29-43(30-27-42,37-21-15-32(16-22-37)31-8-5-4-6-9-31)28-7-10-38(33-11-17-35(39)18-12-33)34-13-19-36(40)20-14-34;;;/h4-6,8-9,11-14,17-20,29,32,37-38,41H,2-3,7,10,15-16,21-28,30H2,1H3;3*1H/t32-,37-,43?;;;

InChIKey

UFYCBIZMFYBRRB-DMDRDUHZSA-N

Smiles

CCCCNCCN1CC=N(CC1)([C@H]2CC[C@@H](CC2)c3ccccc3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 115mg/kg (115mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 461, 1977.