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Substance Name: 1-Piperazinepropanol, 4-(beta-ethoxyphenethyl)-alpha-(p-fluorophenyl)-, dihydrochloride
RN: 27588-37-0
InChIKey: YRDFVVFYIXTILX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-F-N2-O2.2Cl-H

Molecular Weight

  • 459.43
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenyl-2-ethoxy)ethyl-4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperazine dihydrochloride
  • 4-(beta-Ethoxyphenethyl)-alpha-(p-fluorophenyl)-1-piperazinepropanol dihydrochloride

Systematic Name

  • 1-Piperazinepropanol, 4-(beta-ethoxyphenethyl)-alpha-(p-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 27588-37-0

System Generated Number

  • 0027588370

Molecular Formulas

Molecular Formula

  • C23-H31-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C23-H31-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31FN2O2.2ClH/c1-2-28-23(18-19-6-4-3-5-7-19)26-16-14-25(15-17-26)13-12-22(27)20-8-10-21(24)11-9-20;;/h3-11,22-23,27H,2,12-18H2,1H3;2*1H

InChIKey

YRDFVVFYIXTILX-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)[C@@H](Cc1ccccc1)OCC)CC[C@@H](O)c1ccc(cc1)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 430mg/kg (430mg/kg)   United States Patent Document. Vol. #3705244,