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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-
RN: 143759-72-2
InChIKey: ADXUTCJVXBNFJH-LPCSYZHESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-F2-N2-O-S.2Cl-H

Molecular Weight

  • 569.5844
 
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Names and Synonyms

Synonym

  • (S)-(-)-1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-72-2

System Generated Number

  • 0143759722

Molecular Formulas

Molecular Formula

  • C29-H34-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C29-H34-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H34F2N2OS.2ClH/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)7-4-16-32-17-19-33(20-18-32)21-27(34)22-35-28-5-2-1-3-6-28;;/h1-3,5-6,8-15,27,29,34H,4,7,16-22H2;2*1H/t27-;;/m0../s1

InChIKey

ADXUTCJVXBNFJH-LPCSYZHESA-N

Smiles

c1ccc(cc1)SC[C@H](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,