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Substance Name: 1-Piperazinepropanamide, N-(3-methoxyphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)
RN: 104373-74-2
InChIKey: LLHTVGDVXYFZBR-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-(3-Methoxyphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hemihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-74-2

System Generated Number

  • 0104373742

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

InChIKey

LLHTVGDVXYFZBR-UHFFFAOYSA-N

Smiles

COc1cccc(c1)NC(=O)CCN2CCN(CC2)c3ccccn3.COc1cccc(c1)NC(=O)CCN2CCN(CC2)c3ccccn3.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 498mg/kg (498mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 2999mg/kg (2999mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.