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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((methylphenylamino)methyl)-, trihydrochloride
RN: 143760-13-8
InChIKey: HQMBNAORNZKMCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-F2-N3-O.3Cl-H

Molecular Weight

  • 603.021
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(N-methyl-N-phenylamino)propyl)piperazine 3HCl

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((methylphenylamino)methyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 143760-13-8

System Generated Number

  • 0143760138

Molecular Formulas

Molecular Formula

  • C30-H37-F2-N3-O.3Cl-H

Molecular Formula Fragments

  • C30-H37-F2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H37F2N3O.3ClH/c1-33(28-6-3-2-4-7-28)22-29(36)23-35-20-18-34(19-21-35)17-5-8-30(24-9-13-26(31)14-10-24)25-11-15-27(32)16-12-25;;;/h2-4,6-7,9-16,29-30,36H,5,8,17-23H2,1H3;3*1H

InChIKey

HQMBNAORNZKMCH-UHFFFAOYSA-N

Smiles

CN(CC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)O)c4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,