Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazinepropanamide, N-(4-nitrophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
RN: 104373-65-1
InChIKey: GUQUARQUAPVYJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N5-O3.2Cl-H.H2-O

Molecular Weight

  • 446.3325
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

  • 1-Piperazinepropanamide, N-(4-nitrophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-65-1

System Generated Number

  • 0104373651

Molecular Formulas

Molecular Formula

  • C18-H21-N5-O3.2Cl-H.H2-O

Molecular Formula Fragments

  • C18-H21-N5-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21N5O3.2ClH.H2O/c24-18(20-15-4-6-16(7-5-15)23(25)26)8-10-21-11-13-22(14-12-21)17-3-1-2-9-19-17;;;/h1-7,9H,8,10-14H2,(H,20,24);2*1H;1H2

InChIKey

GUQUARQUAPVYJD-UHFFFAOYSA-N

Smiles

N1(CCN(c2ccccn2)CC1)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-].Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210mg/kg (210mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 362mg/kg (362mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.