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Substance Name: 1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
RN: 21263-23-0
InChIKey: SHBWRQBUHRUBLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O2-S.2Cl-H

Molecular Weight

  • 431.425
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21263-23-0

System Generated Number

  • 0021263230

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C20-H26-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2S.2ClH/c1-24-19(17-6-3-2-4-7-17)16-22-13-11-21(12-14-22)10-9-18(23)20-8-5-15-25-20;;/h2-8,15,19H,9-14,16H2,1H3;2*1H

InChIKey

SHBWRQBUHRUBLU-UHFFFAOYSA-N

Smiles

C(=O)(c1cccs1)CCN1CCN(CC1)C[C@@H](c1ccccc1)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 834mg/kg (834mg/kg)   United States Patent Document. Vol. #3448192,