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Substance Name: 1-Piperazinepropanamide, N-(4-aminophenyl)-4-(6-methoxy-2-pyridinyl)-, hydrochloride, hydrate (2:4:3)
RN: 104373-72-0
InChIKey: UGAVWRZTMBKTJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N5-O2.2Cl-H.3/2H2-O

Molecular Weight

  • 910.767
 
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Names and Synonyms

Synonym

  • N-(4-Aminophenyl)-4-(6-methoxy-2-pyridinyl)-1-piperazinepropanamide hydrochloride H2O (2:4:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104373-72-0

System Generated Number

  • 0104373720

Molecular Formulas

Molecular Formula

  • C19-H25-N5-O2.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C19-H25-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H25N5O2.4ClH.3H2O/c2*1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16;;;;;;;/h2*2-8H,9-14,20H2,1H3,(H,21,25);4*1H;3*1H2

InChIKey

UGAVWRZTMBKTJW-UHFFFAOYSA-N

Smiles

COc1cccc(n1)N2CCN(CC2)CCC(=O)Nc3ccc(cc3)N.COc1cccc(n1)N2CCN(CC2)CCC(=O)Nc3ccc(cc3)N.O.O.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 241mg/kg (241mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 729mg/kg (729mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.