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Substance Name: 1-Piperazinepropanamide, N-(4-(((methylamino)carbonyl)amino)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)
RN: 104373-84-4
InChIKey: HBSVIPLYVXQPBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N6-O2-2Cl-H.1/2H2-O

Molecular Weight

  • 928.7892
 
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Names and Synonyms

Synonym

  • N-(4-(((Methylamino)carbonyl)amino)phenyl)-3-(4-(2-pyridinyl)-1-piperazinyl)propanamide 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-84-4

System Generated Number

  • 0104373844

Molecular Formulas

Molecular Formula

  • C20-H26-N6-O2-2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H26-N6-O2-2Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H26N6O2.4ClH.H2O/c2*1-21-20(28)24-17-7-5-16(6-8-17)23-19(27)9-11-25-12-14-26(15-13-25)18-4-2-3-10-22-18;;;;;/h2*2-8,10H,9,11-15H2,1H3,(H,23,27)(H2,21,24,28);4*1H;1H2

InChIKey

HBSVIPLYVXQPBK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3019mg/kg (3019mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.