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Substance Name: 1-Piperazinepropanamide, N-(2,6-dimethylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-51-5
InChIKey: FJJBHXRDOJAMFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N4-O.2Cl-H.H2-O

Molecular Weight

  • 429.389
 
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Names and Synonyms

Synonym

  • N-(2,6-Dimethylphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Systematic Name

  • 1-Piperazinepropanamide, N-(2,6-dimethylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-51-5

System Generated Number

  • 0104373515

Molecular Formulas

Molecular Formula

  • C20-H26-N4-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H26-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H26N4O.2ClH.H2O/c1-16-6-5-7-17(2)20(16)22-19(25)9-11-23-12-14-24(15-13-23)18-8-3-4-10-21-18;;;/h3-8,10H,9,11-15H2,1-2H3,(H,22,25);2*1H;1H2

InChIKey

FJJBHXRDOJAMFT-UHFFFAOYSA-N

Smiles

N1(CCN(c2ccccn2)CC1)CCC(=O)Nc1c(cccc1C)C.Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 348mg/kg (348mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.