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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-phenylpropyl)thio)methyl)-, dihydrochloride
RN: 143760-21-8
InChIKey: LSYJEZCUBWYSHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H40-F2-N2-O-S.2Cl-H

Molecular Weight

  • 611.6648
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-phenylpropyl)thio)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143760-21-8

System Generated Number

  • 0143760218

Molecular Formulas

Molecular Formula

  • C32-H40-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C32-H40-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H40F2N2OS.2ClH/c33-29-14-10-27(11-15-29)32(28-12-16-30(34)17-13-28)9-4-18-35-19-21-36(22-20-35)24-31(37)25-38-23-5-8-26-6-2-1-3-7-26;;/h1-3,6-7,10-17,31-32,37H,4-5,8-9,18-25H2;2*1H

InChIKey

LSYJEZCUBWYSHK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCSCC(CN2CCN(CC2)CCCC(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,