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Substance Name: 1-Piperazinepropanamide, N-(4-methoxyphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)
RN: 104373-75-3
InChIKey: AYLZJOLSLMQDJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 844.7076
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-75-3

System Generated Number

  • 0104373753

Molecular Formulas

Molecular Formula

  • C19-H24-N4-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C19-H24-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H24N4O2.4ClH.H2O/c2*1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18;;;;;/h2*2-8,10H,9,11-15H2,1H3,(H,21,24);4*1H;1H2

InChIKey

AYLZJOLSLMQDJZ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)NC(=O)CCN2CCN(CC2)c3ccccn3.COc1ccc(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 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 490mg/kg (490mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.