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Substance Name: 1-Piperazinepropanamide, N-(4-(aminocarbonyl)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:5)
RN: 104373-79-7
InChIKey: XZUJEIIBAHVJOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N5-O2.2Cl-H.5/2H2-O

Molecular Weight

  • 942.765
 
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Names and Synonyms

  • 1-Piperazinepropanamide, N-(4-(aminocarbonyl)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:5)

Registry Numbers

CAS Registry Number

  • 104373-79-7

System Generated Number

  • 0104373797

Molecular Formulas

Molecular Formula

  • C19-H23-N5-O2.2Cl-H.5/2H2-O

Molecular Formula Fragments

  • C19-H23-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H23N5O2.4ClH.5H2O/c2*20-19(26)15-4-6-16(7-5-15)22-18(25)8-10-23-11-13-24(14-12-23)17-3-1-2-9-21-17;;;;;;;;;/h2*1-7,9H,8,10-14H2,(H2,20,26)(H,22,25);4*1H;5*1H2

InChIKey

XZUJEIIBAHVJOF-UHFFFAOYSA-N

Smiles

c1ccnc(c1)N2CCN(CC2)CCC(=O)Nc3ccc(cc3)C(=O)N.c1ccnc(c1)N2CCN(CC2)CCC(=O)Nc3ccc(cc3)C(=O)N.O.O.O.O.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3017mg/kg (3017mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.