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Substance Name: 1-Piperazineacetic acid, 4-(2,4-dichlorocinnamoyl)-, ethyl ester, hydrochloride
RN: 27897-25-2
InChIKey: UPNHPZUQPAGZJM-CVDVRWGVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl2-N2-O3.Cl-H

Molecular Weight

  • 407.723
 
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Names and Synonyms

Synonyms

  • 4-(2',4'-Dichlorocinnamoyl)-1-(ethoxycarbonylmethyl)piperazine hydrochloride
  • 4-(2,4-Dichlorocinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride

Systematic Name

  • 1-Piperazineacetic acid, 4-(2,4-dichlorocinnamoyl)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 27897-25-2

System Generated Number

  • 0027897252

Molecular Formulas

Molecular Formula

  • C17-H20-Cl2-N2-O3.Cl-H

Molecular Formula Fragments

  • C17-H20-Cl2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20Cl2N2O3.ClH/c1-2-24-17(23)12-20-7-9-21(10-8-20)16(22)6-4-13-3-5-14(18)11-15(13)19;/h3-6,11H,2,7-10,12H2,1H3;1H/b6-4+;

InChIKey

UPNHPZUQPAGZJM-CVDVRWGVSA-N

Smiles

N1(CCN(CC1)C(\C=C\c1c(cc(cc1)Cl)Cl)=O)CC(=O)OCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.
mouse LD50 oral 450mg/kg (450mg/kg)   United States Patent Document. Vol. #3590034,