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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3,4-dimethoxyphenyl)thio)methyl)-, dihydrochloride
RN: 143760-15-0
InChIKey: OFTNMGGBBFFPEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-F2-N2-O3-S.2Cl-H

Molecular Weight

  • 629.636
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3,4-dimethoxyphenyl)thio)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143760-15-0

System Generated Number

  • 0143760150

Molecular Formulas

Molecular Formula

  • C31-H38-F2-N2-O3-S.2Cl-H

Molecular Formula Fragments

  • C31-H38-F2-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H38F2N2O3S.2ClH/c1-37-30-14-13-28(20-31(30)38-2)39-22-27(36)21-35-18-16-34(17-19-35)15-3-4-29(23-5-9-25(32)10-6-23)24-7-11-26(33)12-8-24;;/h5-14,20,27,29,36H,3-4,15-19,21-22H2,1-2H3;2*1H

InChIKey

OFTNMGGBBFFPEQ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)SCC(CN2CCN(CC2)CCCC(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,