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Substance Name: 1-Piperazinepropanamide, N-(4-acetylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)
RN: 104373-61-7
InChIKey: QVLOTYXAYCDFTN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 868.7296
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-61-7

System Generated Number

  • 0104373617

Molecular Formulas

Molecular Formula

  • C20-H24-N4-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C20H24N4O2.4ClH.H2O/c2*1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19;;;;;/h2*2-8,10H,9,11-15H2,1H3,(H,22,26);4*1H;1H2

InChIKey

QVLOTYXAYCDFTN-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(cc1)NC(=O)CCN2CCN(CC2)c3ccccn3.CC(=O)c1ccc(cc1)NC(=O)CCN2CCN(CC2)c3ccccn3.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 208mg/kg (208mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 652mg/kg (652mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.