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Substance Name: 1-Piperazinepropanamide, N-(2-methylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-55-9
InChIKey: DWFMOINQZXIALL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O.2Cl-H.H2-O

Molecular Weight

  • 415.3622
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-55-9

System Generated Number

  • 0104373559

Molecular Formulas

Molecular Formula

  • C19-H24-N4-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H24-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H24N4O.2ClH.H2O/c1-16-6-2-3-7-17(16)21-19(24)9-11-22-12-14-23(15-13-22)18-8-4-5-10-20-18;;;/h2-8,10H,9,11-15H2,1H3,(H,21,24);2*1H;1H2

InChIKey

DWFMOINQZXIALL-UHFFFAOYSA-N

Smiles

N1(CCN(c2ccccn2)CC1)CCC(=O)Nc1c(cccc1)C.Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 656mg/kg (656mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.