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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, acetate(ester), dihydrochloride
RN: 143759-71-1
InChIKey: KJGPFEDWRBDFFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-F2-N2-O2-S.2Cl-H

Molecular Weight

  • 611.6212
 
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Names and Synonyms

Synonym

  • 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-71-1

System Generated Number

  • 0143759711

Molecular Formulas

Molecular Formula

  • C31-H36-F2-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C31-H36-F2-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H36F2N2O2S.2ClH/c1-24(36)37-29(23-38-30-6-3-2-4-7-30)22-35-20-18-34(19-21-35)17-5-8-31(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26;;/h2-4,6-7,9-16,29,31H,5,8,17-23H2,1H3;2*1H

InChIKey

KJGPFEDWRBDFFE-UHFFFAOYSA-N

Smiles

CC(=O)OC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)CSc4ccccc4.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,