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Substance Name: Ethanone, 2-(4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-piperazinyl)-1-(2,4,6-trimethoxyphenyl)-, dihydrochloride
RN: 57218-08-3
InChIKey: JRODHFMUTFETDX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O6.2Cl-H

Molecular Weight

  • 515.4308
 
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Names and Synonyms

Synonyms

  • 1-(2-(1,4-Benzodioxanyl)methyl)-4-(2,4,6-trimethoxyphenacyl)piperazine dihydrochloride
  • CRL 40156

Systematic Name

  • Ethanone, 2-(4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-piperazinyl)-1-(2,4,6-trimethoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 57218-08-3

System Generated Number

  • 0057218083

Molecular Formulas

Molecular Formula

  • C24-H30-N2-O6.2Cl-H

Molecular Formula Fragments

  • C24-H30-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30N2O6.2ClH/c1-28-17-12-22(29-2)24(23(13-17)30-3)19(27)15-26-10-8-25(9-11-26)14-18-16-31-20-6-4-5-7-21(20)32-18;;/h4-7,12-13,18H,8-11,14-16H2,1-3H3;2*1H

InChIKey

JRODHFMUTFETDX-UHFFFAOYSA-N

Smiles

COc1cc(c(c(c1)OC)C(=O)CN2CCN(CC2)CC3COc4ccccc4O3)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58mg/kg (58mg/kg)   United States Patent Document. Vol. #3959283,