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Substance Name: 1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride
RN: 113594-65-3
InChIKey: QZGIZQDDNFIOJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O6.2Cl-H

Molecular Weight

  • 503.4198
 
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Names and Synonyms

Synonym

  • 1-((4-Methoxyphenoxy)carbonylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride

Systematic Name

  • 1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 113594-65-3

System Generated Number

  • 0113594653

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O6.2Cl-H

Molecular Formula Fragments

  • C23-H30-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O6.2ClH/c1-27-18-6-8-19(9-7-18)31-21(26)16-25-13-11-24(12-14-25)15-17-5-10-20(28-2)23(30-4)22(17)29-3;;/h5-10H,11-16H2,1-4H3;2*1H

InChIKey

QZGIZQDDNFIOJW-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)OC(=O)CN2CCN(CC2)Cc3ccc(c(c3OC)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4200mg/kg (4200mg/kg)   United States Patent Document. Vol. #4797400,