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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-hydroxyphenyl)thio)methyl)-
RN: 143759-94-8
InChIKey: GKPFYPJQLQAEQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-F2-N2-O2-S

Molecular Weight

  • 512.6616
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((4-hydroxyphenyl)thio)methyl)-1-piperazineethanol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-94-8

System Generated Number

  • 0143759948

Structure Descriptors

InChI

1S/C29H34F2N2O2S/c30-24-7-3-22(4-8-24)29(23-5-9-25(31)10-6-23)2-1-15-32-16-18-33(19-17-32)20-27(35)21-36-28-13-11-26(34)12-14-28/h3-14,27,29,34-35H,1-2,15-21H2

InChIKey

GKPFYPJQLQAEQE-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CCCN2CCN(CC2)CC(CSc3ccc(cc3)O)O)c4ccc(cc4)F)F

Toxicity

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