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Substance Name: 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride
RN: 86580-12-3
InChIKey: YUOROCYDRJMIHS-MLBSPLJJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H46-N2-O10.Cl-H

Molecular Weight

  • 679.2023
 
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Names and Synonyms

  • 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 86580-12-3

System Generated Number

  • 0086580123

Molecular Formulas

Molecular Formula

  • C34-H46-N2-O10.Cl-H

Molecular Formula Fragments

  • C34-H46-N2-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H46N2O10.ClH/c1-23(2)10-15-45-34(39)26-7-8-27(33-31(26)43-16-17-44-33)46-22-25(21-37)20-35-11-13-36(14-12-35)30(38)9-6-24-18-28(40-3)32(42-5)29(19-24)41-4;/h6-9,18-19,23,25,37H,10-17,20-22H2,1-5H3;1H/b9-6+;

InChIKey

YUOROCYDRJMIHS-MLBSPLJJSA-N

Smiles

CC(C)CCOC(=O)c1ccc(c2c1OCCO2)OCC(CN3CCN(CC3)C(=O)/C=C/c4cc(c(c(c4)OC)OC)OC)CO.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2508032,