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Substance Name: Piperazine, 4-(4,4-bis(p-fluorophenyl)butyl)-1-(2-(N-isobutyl-N-(4'-phenylcyclohexyl)amino)ethyl)-, trihydrochloride, (E)-
RN: 63698-44-2
InChIKey: XOCGNFDOROPGAD-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. 18040-3HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63698-44-2

System Generated Number

  • 0063698442

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/c1-30(2)29-41-22-23-42-24-27-43(28-25-42,37-20-14-32(15-21-37)31-7-4-3-5-8-31)26-6-9-38(33-10-16-35(39)17-11-33)34-12-18-36(40)19-13-34;;;/h3-5,7-8,10-13,16-19,27,30,32,37-38,41H,6,9,14-15,20-26,28-29H2,1-2H3;3*1H/t32-,37-,43?;;;

InChIKey

XOCGNFDOROPGAD-DMDRDUHZSA-N

Smiles

CC(CNCCN1CC=N(CC1)([C@H]2CC[C@@H](CC2)c3ccccc3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 461, 1977.