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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((((4-chlorophenyl)methyl)thio)methyl)-, dihydrochloride
RN: 143760-17-2
InChIKey: SSSPHGMVJPDVII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H35-Cl-F2-N2-O-S.2Cl-H

Molecular Weight

  • 618.0563
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 143760-17-2

System Generated Number

  • 0143760172

Molecular Formulas

Molecular Formula

  • C30-H35-Cl-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C30-H35-Cl-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H35ClF2N2OS.2ClH/c31-26-9-3-23(4-10-26)21-37-22-29(36)20-35-18-16-34(17-19-35)15-1-2-30(24-5-11-27(32)12-6-24)25-7-13-28(33)14-8-25;;/h3-14,29-30,36H,1-2,15-22H2;2*1H

InChIKey

SSSPHGMVJPDVII-UHFFFAOYSA-N

Smiles

c1cc(ccc1CSCC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)O)Cl.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,