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Substance Name: 1-Piperazinepropanamide, N-(4-chlorophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-80-0
InChIKey: XTTOLIZPVSMBLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-Cl-N4-O.2Cl-H.H2-O

Molecular Weight

  • 435.7805
 
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Names and Synonyms

Synonym

  • N-(4-Chlorophenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Systematic Name

  • 1-Piperazinepropanamide, N-(4-chlorophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-80-0

System Generated Number

  • 0104373800

Molecular Formulas

Molecular Formula

  • C18-H21-Cl-N4-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C18-H21-Cl-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21ClN4O.2ClH.H2O/c19-15-4-6-16(7-5-15)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17;;;/h1-7,9H,8,10-14H2,(H,21,24);2*1H;1H2

InChIKey

XTTOLIZPVSMBLH-UHFFFAOYSA-N

Smiles

N1(CCN(c2ccccn2)CC1)CCC(=O)Nc1ccc(cc1)Cl.Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 418mg/kg (418mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.