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Substance Name: M.G. 18001 3HCl
RN: 63698-38-4
InChIKey: NJYIQVBVCMFZBS-HQEVJDIKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H43-F2-N3.3Cl-H

Molecular Weight

  • 641.1134
 
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Names and Synonyms

Results Name

  • M.G. 18001 3HCl

Synonyms

  • M.G. 18001-3HCl
  • trans-4-(4,4-Bis(p-fluorophenyl)butyl)-1-(2-(4'-phenylcyclohexylamino)ethyl)piperazine 3HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63698-38-4

System Generated Number

  • 0063698384

Molecular Formulas

Molecular Formula

  • C34-H43-F2-N3.3Cl-H

Molecular Formula Fragments

  • C34-H43-F2-N3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H43F2N3.3ClH/c35-31-14-8-29(9-15-31)34(30-10-16-32(36)17-11-30)7-4-24-39(25-22-38(21-20-37)23-26-39)33-18-12-28(13-19-33)27-5-2-1-3-6-27;;;/h1-3,5-6,8-11,14-17,25,28,33-34H,4,7,12-13,18-24,26,37H2;3*1H/t28-,33-,39?;;;

InChIKey

NJYIQVBVCMFZBS-HQEVJDIKSA-N

Smiles

c1ccc(cc1)[C@H]2CC[C@@H](CC2)N3(=CCN(CC3)CCN)CCCC(c4ccc(cc4)F)c5ccc(cc5)F.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 42mg/kg (42mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 461, 1977.
rat LD50 oral 389mg/kg (389mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 461, 1977.