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Substance Name: 1-Piperazinepropanol, alpha-(p-(allyloxy)phenyl)-4-(beta-ethoxyphenethyl)-, dihydrochloride
RN: 27588-38-1
InChIKey: OBQIJRSOAUGVGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N2-O3.2Cl-H

Molecular Weight

  • 497.503
 
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Names and Synonyms

Synonym

  • alpha-(p-(Allyloxy)phenyl)-4-(beta-ethoxyphenethyl)-1-piperazinepropanol dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27588-38-1

System Generated Number

  • 0027588381

Molecular Formulas

Molecular Formula

  • C26-H36-N2-O3.2Cl-H

Molecular Formula Fragments

  • C26-H36-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N2O3.2ClH/c1-3-20-31-24-12-10-23(11-13-24)25(29)14-15-27-16-18-28(19-17-27)26(30-4-2)21-22-8-6-5-7-9-22;;/h3,5-13,25-26,29H,1,4,14-21H2,2H3;2*1H

InChIKey

OBQIJRSOAUGVGY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 435mg/kg (435mg/kg)   United States Patent Document. Vol. #3705244,