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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-methoxyphenyl)thio)methyl)-,dihydrochloride
RN: 143759-97-1
InChIKey: VKRGPWVBILXSOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O2-S.2Cl-H

Molecular Weight

  • 599.6102
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-97-1

System Generated Number

  • 0143759971

Molecular Formulas

Molecular Formula

  • C30-H36-F2-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C30-H36-F2-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H36F2N2O2S.2ClH/c1-36-28-12-14-29(15-13-28)37-22-27(35)21-34-19-17-33(18-20-34)16-2-3-30(23-4-8-25(31)9-5-23)24-6-10-26(32)11-7-24;;/h4-15,27,30,35H,2-3,16-22H2,1H3;2*1H

InChIKey

VKRGPWVBILXSOM-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)SCC(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,