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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)thio)methyl)-, dihydrochloride
RN: 143759-84-6
InChIKey: OSEZIPZXVKOGGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O-S.2Cl-H

Molecular Weight

  • 583.6112
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-84-6

System Generated Number

  • 0143759846

Molecular Formulas

Molecular Formula

  • C30-H36-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C30-H36-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H36F2N2OS.2ClH/c31-27-12-8-25(9-13-27)30(26-10-14-28(32)15-11-26)7-4-16-33-17-19-34(20-18-33)21-29(35)23-36-22-24-5-2-1-3-6-24;;/h1-3,5-6,8-15,29-30,35H,4,7,16-23H2;2*1H

InChIKey

OSEZIPZXVKOGGE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSCC(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,