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Substance Name: Acetic acid, (1-((4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)methyl)-2-(phenylthio)ethoxy)-, sodium salt
RN: 143760-35-4
InChIKey: FXUONKURWWCAAJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H35-F2-N2-O3-S.Na

Molecular Weight

  • 576.6805
 
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Names and Synonyms

Synonym

  • Sodium 1-phenylthiomethyl-2-(4-(4,4-bis(4-fluorophenyl)butyl)piperazine)ethoxyacetate

Systematic Name

  • Acetic acid, (1-((4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)methyl)-2-(phenylthio)ethoxy)-, sodium salt

Registry Numbers

CAS Registry Number

  • 143760-35-4

System Generated Number

  • 0143760354

Molecular Formulas

Molecular Formula

  • C31-H35-F2-N2-O3-S.Na

Molecular Formula Fragments

  • C31-H35-F2-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H36F2N2O3S.Na/c32-26-12-8-24(9-13-26)30(25-10-14-27(33)15-11-25)7-4-16-34-17-19-35(20-18-34)21-28(38-22-31(36)37)23-39-29-5-2-1-3-6-29;/h1-3,5-6,8-15,28,30H,4,7,16-23H2,(H,36,37);/q;+1/p-1

InChIKey

FXUONKURWWCAAJ-UHFFFAOYSA-M

Smiles

c1ccc(cc1)SCC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)OCC(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,