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Substance Name: 1-Piperazinepropanamide, N-(3-acetylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-60-6
InChIKey: QFVKRIAOGNCLDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O2.2Cl-H.H2-O

Molecular Weight

  • 443.3722
 
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Names and Synonyms

Synonym

  • N-(3-Acetylphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Systematic Name

  • 1-Piperazinepropanamide, N-(3-acetylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-60-6

System Generated Number

  • 0104373606

Molecular Formulas

Molecular Formula

  • C20-H24-N4-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H24-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H24N4O2.2ClH.H2O/c1-16(25)17-5-4-6-18(15-17)22-20(26)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19;;;/h2-7,9,15H,8,10-14H2,1H3,(H,22,26);2*1H;1H2

InChIKey

QFVKRIAOGNCLDY-UHFFFAOYSA-N

Smiles

N1(CCN(c2ccccn2)CC1)CCC(=O)Nc1cc(ccc1)C(=O)C.Cl.Cl.O

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 492mg/kg (492mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.