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Substance Name: Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-, dihydrochloride
RN: 143759-69-7
InChIKey: XUXOMDQMKFTZDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O-S.2Cl-H

Molecular Weight

  • 583.6112
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-phenylthiopropyl)piperazine 2HCl

Systematic Name

  • Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143759-69-7

System Generated Number

  • 0143759697

Molecular Formulas

Molecular Formula

  • C30-H36-F2-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C30-H36-F2-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H36F2N2OS.2ClH/c1-35-28(23-36-29-6-3-2-4-7-29)22-34-20-18-33(19-21-34)17-5-8-30(24-9-13-26(31)14-10-24)25-11-15-27(32)16-12-25;;/h2-4,6-7,9-16,28,30H,5,8,17-23H2,1H3;2*1H

InChIKey

XUXOMDQMKFTZDQ-UHFFFAOYSA-N

Smiles

COC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)CSc4ccccc4.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,