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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-methylphenyl)thio)methyl)-
RN: 143759-75-5
InChIKey: QLHXHOPJRXKCEW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O-S

Molecular Weight

  • 510.6894
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-75-5

System Generated Number

  • 0143759755

Structure Descriptors

InChI

1S/C30H36F2N2OS/c1-23-4-14-29(15-5-23)36-22-28(35)21-34-19-17-33(18-20-34)16-2-3-30(24-6-10-26(31)11-7-24)25-8-12-27(32)13-9-25/h4-15,28,30,35H,2-3,16-22H2,1H3

InChIKey

QLHXHOPJRXKCEW-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)SCC(CN2CCN(CC2)CCCC(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,