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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-fluorophenyl)thio)methyl)-, dihydrochloride
RN: 143759-93-7
InChIKey: ABOILGYKVKHUGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H33-F3-N2-O-S.2Cl-H

Molecular Weight

  • 587.5745
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(3-(4-fluorophenylthio)-2-hydroxypropyl)piperazine 2HCl

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-fluorophenyl)thio)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143759-93-7

System Generated Number

  • 0143759937

Molecular Formulas

Molecular Formula

  • C29-H33-F3-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C29-H33-F3-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H33F3N2OS.2ClH/c30-24-7-3-22(4-8-24)29(23-5-9-25(31)10-6-23)2-1-15-33-16-18-34(19-17-33)20-27(35)21-36-28-13-11-26(32)12-14-28;;/h3-14,27,29,35H,1-2,15-21H2;2*1H

InChIKey

ABOILGYKVKHUGJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CCCN2CCN(CC2)CC(CSc3ccc(cc3)F)O)c4ccc(cc4)F)F.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,