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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-nitrophenyl)thio)methyl)-
RN: 143760-22-9
InChIKey: KTKHVQLANZPVRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H33-F2-N3-O3-S

Molecular Weight

  • 541.6597
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143760-22-9

System Generated Number

  • 0143760229

Structure Descriptors

InChI

1S/C29H33F2N3O3S/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)21-38-28-13-11-26(12-14-28)34(36)37/h3-14,27,29,35H,1-2,15-21H2

InChIKey

KTKHVQLANZPVRD-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CCCN2CCN(CC2)CC(CSc3ccc(cc3)[N+](=O)[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,