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Substance Name: 2-Butenoic acid, 4-(4-(diphenylmethyl)-1-piperazinyl)-, ethyl ester, dihydrochloride
RN: 113913-44-3
InChIKey: JRKNHZRUMNADNW-CAJRCRMVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O2.2Cl-H

Molecular Weight

  • 437.408
 
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Names and Synonyms

Synonym

  • Ethyl 4-(4-(diphenylmethyl)-1-piperazinyl)-2-butenoate dihydrochloride

Systematic Name

  • 2-Butenoic acid, 4-(4-(diphenylmethyl)-1-piperazinyl)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 113913-44-3

System Generated Number

  • 0113913443

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O2.2Cl-H

Molecular Formula Fragments

  • C23-H28-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N2O2.2ClH/c1-2-27-22(26)14-9-15-24-16-18-25(19-17-24)23(20-10-5-3-6-11-20)21-12-7-4-8-13-21;;/h3-14,23H,2,15-19H2,1H3;2*1H/b14-9+;;

InChIKey

JRKNHZRUMNADNW-CAJRCRMVSA-N

Smiles

CCOC(=O)/C=C/CN1CCN(CC1)C(c2ccccc2)c3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4883797,