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Substance Name: 1-Propanone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
RN: 21263-22-9
InChIKey: CNBHRTMKMYFLFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O2-S.2Cl-H

Molecular Weight

  • 445.452
 
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Names and Synonyms

Synonym

  • 3-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-1-propanone dihydrochloride

Systematic Name

  • 1-Propanone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 21263-22-9

System Generated Number

  • 0021263229

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C21-H28-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2O2S.2ClH/c1-2-25-21(17-18-7-4-3-5-8-18)23-14-12-22(13-15-23)11-10-19(24)20-9-6-16-26-20;;/h3-9,16,21H,2,10-15,17H2,1H3;2*1H

InChIKey

CNBHRTMKMYFLFS-UHFFFAOYSA-N

Smiles

C(=O)(c1cccs1)CCN1CCN(CC1)[C@@H](Cc1ccccc1)OCC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 584mg/kg (584mg/kg)   United States Patent Document. Vol. #3448192,