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Substance Name: 1-Piperazinepropanamide, N-(3-nitrophenyl)-4-(2-pyridinyl)-, dihydrochloride
RN: 104373-64-0
InChIKey: QSOAEYXHPLCMNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N5-O3.2Cl-H

Molecular Weight

  • 428.3177
 
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Names and Synonyms

Synonym

  • N-(3-Nitrophenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride

Systematic Name

  • 1-Piperazinepropanamide, N-(3-nitrophenyl)-4-(2-pyridinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-64-0

System Generated Number

  • 0104373640

Molecular Formulas

Molecular Formula

  • C18-H21-N5-O3.2Cl-H

Molecular Formula Fragments

  • C18-H21-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N5O3.2ClH/c24-18(20-15-4-3-5-16(14-15)23(25)26)7-9-21-10-12-22(13-11-21)17-6-1-2-8-19-17;;/h1-6,8,14H,7,9-13H2,(H,20,24);2*1H

InChIKey

QSOAEYXHPLCMNQ-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)c1ccccn1)CCC(=O)Nc1cc(ccc1)[N+](=O)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 887mg/kg (887mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.