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Substance Name: 1-Piperazinepropanamide, N-(4-cyanophenyl)-4-(2-pyridinyl)-, dihydrochloride
RN: 104373-78-6
InChIKey: QTPURKADFWXFJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N5-O.2Cl-H

Molecular Weight

  • 408.3307
 
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Names and Synonyms

Synonym

  • N-(4-Cyanophenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride

Systematic Name

  • 1-Piperazinepropanamide, N-(4-cyanophenyl)-4-(2-pyridinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-78-6

System Generated Number

  • 0104373786

Molecular Formulas

Molecular Formula

  • C19-H21-N5-O.2Cl-H

Molecular Formula Fragments

  • C19-H21-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N5O.2ClH/c20-15-16-4-6-17(7-5-16)22-19(25)8-10-23-11-13-24(14-12-23)18-3-1-2-9-21-18;;/h1-7,9H,8,10-14H2,(H,22,25);2*1H

InChIKey

QTPURKADFWXFJG-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)c1ccccn1)CCC(=O)Nc1ccc(cc1)C#N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 159mg/kg (159mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 253mg/kg (253mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.