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Substance Name: 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-(((phenylmethyl)thio)methyl)-, dihydrochloride
RN: 143759-80-2
InChIKey: SKHUBSHKVOMLEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-F2-N2-O-S.2Cl-H

Molecular Weight

  • 541.5308
 
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Names and Synonyms

Synonym

  • 1-(Bis(4-fluorophenyl)methyl)-4-(2-hydroxy-3-phenylmethylthiopropyl)piperazine dihydrochloride

Systematic Name

  • 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-(((phenylmethyl)thio)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143759-80-2

System Generated Number

  • 0143759802

Molecular Formulas

Molecular Formula

  • C27-H30-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C27-H30-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H30F2N2OS.2ClH/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)31-16-14-30(15-17-31)18-26(32)20-33-19-21-4-2-1-3-5-21;;/h1-13,26-27,32H,14-20H2;2*1H

InChIKey

SKHUBSHKVOMLEO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSCC(CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F)O.Cl.Cl

Toxicity

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