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Substance Name: Benzoic acid, 4-((1-oxo-3-(4-(2-pyridinyl)-1-piperazinyl)propyl)amino)-, ethyl ester, dihydrochloride
RN: 104393-11-5
InChIKey: VSDKBDMCFNAYRN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O3.2Cl-H

Molecular Weight

  • 455.3832
 
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Names and Synonyms

Synonym

  • 4-((1-Oxo-3-(4-(2-pyridinyl)-1-piperazinyl)propyl)amino)benzoic acid ethyl ester 2HCl

Systematic Name

  • Benzoic acid, 4-((1-oxo-3-(4-(2-pyridinyl)-1-piperazinyl)propyl)amino)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104393-11-5

System Generated Number

  • 0104393115

Molecular Formulas

Molecular Formula

  • C21-H26-N4-O3.2Cl-H

Molecular Formula Fragments

  • C21-H26-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N4O3.2ClH/c1-2-28-21(27)17-6-8-18(9-7-17)23-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-22-19;;/h3-9,11H,2,10,12-16H2,1H3,(H,23,26);2*1H

InChIKey

VSDKBDMCFNAYRN-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)NC(=O)CCN2CCN(CC2)c3ccccn3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 301mg/kg (301mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 419mg/kg (419mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.