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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-chlorophenyl)thio)methyl)-
RN: 143759-86-8
InChIKey: ZENZSMIOBFJWKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H33-Cl-F2-N2-O-S

Molecular Weight

  • 531.1077
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(3-(4-chlorophenylthio)-2-hydroxypropyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((4-chlorophenyl)thio)methyl)-1-piperazineethanol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-86-8

System Generated Number

  • 0143759868

Structure Descriptors

InChI

1S/C29H33ClF2N2OS/c30-24-7-13-28(14-8-24)36-21-27(35)20-34-18-16-33(17-19-34)15-1-2-29(22-3-9-25(31)10-4-22)23-5-11-26(32)12-6-23/h3-14,27,29,35H,1-2,15-21H2

InChIKey

ZENZSMIOBFJWKP-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CCCN2CCN(CC2)CC(CSc3ccc(cc3)Cl)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,