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Substance Name: Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxy-, hydrobromide
RN: 17766-80-2
InChIKey: HBUNXNRQXXJUOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O6.Br-H

Molecular Weight

  • 463.366
 
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Names and Synonyms

Synonyms

  • 1-(3,4,5-Trimethoxyphenacyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine hydrobromide
  • 2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxyacetophenone hydrobromide
  • Piperazine, 1-(2-(2-hydroxyethoxy)ethyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, hydrobromide

Systematic Name

  • Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxy-, hydrobromide

Registry Numbers

CAS Registry Number

  • 17766-80-2

System Generated Number

  • 0017766802

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O6.Br-H

Molecular Formula Fragments

  • Br-H
  • C19-H30-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O6.BrH/c1-24-17-12-15(13-18(25-2)19(17)26-3)16(23)14-21-6-4-20(5-7-21)8-10-27-11-9-22;/h12-13,22H,4-11,14H2,1-3H3;1H

InChIKey

HBUNXNRQXXJUOX-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(CN1CC[NH+](CCOCCO)CC1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 332, 1968.