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Substance Name: 1-Piperazinepropanamide, N-(4-((1-oxopropyl)amino)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-83-3
InChIKey: ZQCCCOZLOBWVHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O2.2Cl-H.H2-O

Molecular Weight

  • 472.4139
 
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Names and Synonyms

Synonym

  • N-(4-((1-Oxopropyl)amino)phenyl)-4-(2-pyridinyl)-1-piperazinepropanamide 2HCl hydrate

Systematic Name

  • 1-Piperazinepropanamide, N-(4-((1-oxopropyl)amino)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-83-3

System Generated Number

  • 0104373833

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C21-H27-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27N5O2.2ClH.H2O/c1-2-20(27)23-17-6-8-18(9-7-17)24-21(28)10-12-25-13-15-26(16-14-25)19-5-3-4-11-22-19;;;/h3-9,11H,2,10,12-16H2,1H3,(H,23,27)(H,24,28);2*1H;1H2

InChIKey

ZQCCCOZLOBWVHU-UHFFFAOYSA-N

Smiles

CCC(=O)Nc1ccc(cc1)NC(=O)CCN2CCN(CC2)c3ccccn3.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 496mg/kg (496mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 723mg/kg (723mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.