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Substance Name: 1-Piperazineacetic acid, 4-(3,4,5-trimethoxycinnamoyl)-, ethyl ester, hydrochloride
RN: 26219-22-7
InChIKey: JBIBXWXTDRGMIV-UHDJGPCESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O6.Cl-H

Molecular Weight

  • 428.91
 
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Names and Synonyms

Synonyms

  • 4-(3',4',5'-Trimethoxycinnamoyl)-1-(ethoxycarbonylmethyl)piperazine hydrochloride
  • 4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride

Systematic Name

  • 1-Piperazineacetic acid, 4-(3,4,5-trimethoxycinnamoyl)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 26219-22-7

Related Registry Number

  • 23887-41-4 (Parent)

System Generated Number

  • 0026219227

Molecular Formulas

Molecular Formula

  • C20-H28-N2-O6.Cl-H

Molecular Formula Fragments

  • C20-H28-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N2O6.ClH/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3;/h6-7,12-13H,5,8-11,14H2,1-4H3;1H/b7-6+;

InChIKey

JBIBXWXTDRGMIV-UHDJGPCESA-N

Smiles

N1(CCN(CC1)C(\C=C\c1cc(c(c(c1)OC)OC)OC)=O)CC(=O)OCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   United States Patent Document. Vol. #3590034,
mouse LD50 oral 1300mg/kg (1300mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.