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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, benzoate (ester), dihydrochloride
RN: 143760-33-2
InChIKey: VQFAKHXIHDNONA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H38-F2-N2-O2-S.2Cl-H

Molecular Weight

  • 673.692
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143760-33-2

System Generated Number

  • 0143760332

Molecular Formulas

Molecular Formula

  • C36-H38-F2-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C36-H38-F2-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H38F2N2O2S.2ClH/c37-31-17-13-28(14-18-31)35(29-15-19-32(38)20-16-29)12-7-21-39-22-24-40(25-23-39)26-33(27-43-34-10-5-2-6-11-34)42-36(41)30-8-3-1-4-9-30;;/h1-6,8-11,13-20,33,35H,7,12,21-27H2;2*1H

InChIKey

VQFAKHXIHDNONA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)OC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)CSc5ccccc5.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,