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Substance Name: 1-Piperazinepropanamide, N-(3-aminophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:6:1)
RN: 104373-69-5
InChIKey: MDZWFOGSLLXMOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N5-O.3Cl-H.1/2H2-O

Molecular Weight

  • 887.6076
 
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Names and Synonyms

Synonym

  • N-(3-Aminophenyl)-4-(2-pyridinyl)-1-piperazinepropanamide trihydrochloride hemihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-69-5

System Generated Number

  • 0104373695

Molecular Formulas

Molecular Formula

  • C18-H23-N5-O.3Cl-H.1/2H2-O

Molecular Formula Fragments

  • C18-H23-N5-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H23N5O.6ClH.H2O/c2*19-15-4-3-5-16(14-15)21-18(24)7-9-22-10-12-23(13-11-22)17-6-1-2-8-20-17;;;;;;;/h2*1-6,8,14H,7,9-13,19H2,(H,21,24);6*1H;1H2

InChIKey

MDZWFOGSLLXMOE-UHFFFAOYSA-N

Smiles

c1ccnc(c1)N2CCN(CC2)CCC(=O)Nc3cccc(c3)N.c1ccnc(c1)N2CCN(CC2)CCC(=O)Nc3cccc(c3)N.O.Cl.Cl.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 399mg/kg (399mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 377mg/kg (377mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.