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Substance Name: 1-Piperazinepropanol, alpha-(p-fluorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochloride
RN: 27588-41-6
InChIKey: MIJOKNLHSIKYRF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-F-N2-O2.2Cl-H

Molecular Weight

  • 487.483
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenyl-2-isobutoxy)ethyl-4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperazine dihydrochloride
  • alpha-(p-Fluorophenyl)-4-(beta-isobutoxyphenethyl)-1-piperazinepropanol dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27588-41-6

System Generated Number

  • 0027588416

Molecular Formulas

Molecular Formula

  • C25-H35-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C25-H35-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H35FN2O2.2ClH/c1-25(2,3)30-24(19-20-7-5-4-6-8-20)28-17-15-27(16-18-28)14-13-23(29)21-9-11-22(26)12-10-21;;/h4-12,23-24,29H,13-19H2,1-3H3;2*1H

InChIKey

MIJOKNLHSIKYRF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ANTIPSYCHOTIC
United States Patent Document. Vol. #3705244,