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Substance Name: 1-Piperazinepropanamide, 4-(2-pyridinyl)-N-(2,3,5,6-tetramethylphenyl)-, hydrochloride, hydrate (1:2:2)
RN: 104373-56-0
InChIKey: GLOVCQVYYMDUKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N4-O.2Cl-H.2H2-O

Molecular Weight

  • 475.4574
 
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Names and Synonyms

Synonym

  • 4-(2-Pyridinyl)-N-(2,3,5,6-tetramethylphenyl)-1-piperazinepropanamide dihydrochloride 2H2O

Systematic Name

  • 1-Piperazinepropanamide, 4-(2-pyridinyl)-N-(2,3,5,6-tetramethylphenyl)-, hydrochloride, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 104373-56-0

System Generated Number

  • 0104373560

Molecular Formulas

Molecular Formula

  • C22-H30-N4-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C22-H30-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H30N4O.2ClH.2H2O/c1-15-13-16(2)18(4)22(17(15)3)26-12-11-25(10-8-21(23)27)20(14-26)19-7-5-6-9-24-19;;;;/h5-7,9,13,20H,8,10-12,14H2,1-4H3,(H2,23,27);2*1H;2*1H2

InChIKey

GLOVCQVYYMDUKS-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1C)N2CCN(C(C2)c3ccccn3)CCC(=O)N)C)C.O.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 271mg/kg (271mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.