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Substance Name: 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-((phenylthio)methyl)-, dihydrochloride
RN: 143760-07-0
InChIKey: AQBAKOYKYYHNGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-F2-N2-O-S.2Cl-H

Molecular Weight

  • 527.504
 
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Names and Synonyms

Synonym

  • 1-(Bis(4-fluorophenyl)methyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143760-07-0

System Generated Number

  • 0143760070

Molecular Formulas

Molecular Formula

  • C26-H28-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C26-H28-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H28F2N2OS.2ClH/c27-22-10-6-20(7-11-22)26(21-8-12-23(28)13-9-21)30-16-14-29(15-17-30)18-24(31)19-32-25-4-2-1-3-5-25;;/h1-13,24,26,31H,14-19H2;2*1H

InChIKey

AQBAKOYKYYHNGP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SCC(CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F)O.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,