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Substance Name: 1-Piperazinepropanamide, N-(4-aminophenyl)-2-methyl-4-(2-pyridinyl)-, trihydrochloride
RN: 104374-06-3
InChIKey: SUKXHIRNUNOUTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N5-O.3Cl-H

Molecular Weight

  • 448.8232
 
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Names and Synonyms

Synonym

  • N-(4-Aminophenyl)-2-methyl-4-(2-pyridinyl)-1-piperazinepropanamide trihydrochloride

Systematic Name

  • 1-Piperazinepropanamide, N-(4-aminophenyl)-2-methyl-4-(2-pyridinyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 104374-06-3

System Generated Number

  • 0104374063

Molecular Formulas

Molecular Formula

  • C19-H25-N5-O.3Cl-H

Molecular Formula Fragments

  • C19-H25-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25N5O.3ClH/c1-15-14-24(18-4-2-3-10-21-18)13-12-23(15)11-9-19(25)22-17-7-5-16(20)6-8-17;;;/h2-8,10,15H,9,11-14,20H2,1H3,(H,22,25);3*1H

InChIKey

SUKXHIRNUNOUTA-UHFFFAOYSA-N

Smiles

C1N(CC[N@@](CCC(=O)Nc2ccc(cc2)N)[C@@H]1C)c1ccccn1.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 534mg/kg (534mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 1333mg/kg (1333mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.