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Substance Name: 1-Piperazineethanol, 4-(3,3-bis(4-fluorophenyl)propyl)-alpha-((phenylthio)methyl)-
RN: 143759-81-3
InChIKey: BCBFSELUQRDRIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-F2-N2-O-S

Molecular Weight

  • 482.6358
 
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Names and Synonyms

Synonyms

  • 1-(3,3-Bis(4-fluorophenyl)propyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine
  • 4-(3,3-Bis(4-fluorophenyl)propyl)-alpha-((phenylthio)methyl)-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, 4-(3,3-bis(4-fluorophenyl)propyl)-alpha-((phenylthio)methyl)-

Registry Numbers

CAS Registry Number

  • 143759-81-3

System Generated Number

  • 0143759813

Structure Descriptors

InChI

1S/C28H32F2N2OS/c29-24-10-6-22(7-11-24)28(23-8-12-25(30)13-9-23)14-15-31-16-18-32(19-17-31)20-26(33)21-34-27-4-2-1-3-5-27/h1-13,26,28,33H,14-21H2

InChIKey

BCBFSELUQRDRIY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SCC(CN2CCN(CC2)CCC(c3ccc(cc3)F)c4ccc(cc4)F)O

Toxicity

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