Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
RN: 3414-30-0
InChIKey: ZNXASGZRDKKZSW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N2-O4.Cl-H

Molecular Weight

  • 322.746
 
* 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

  • Benzoic acid, 4-nitro-, (3-(4-pyridyl)propyl) ester, hydrochloride

Systematic Name

  • 4-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 3414-30-0

System Generated Number

  • 0003414300

Molecular Formulas

Molecular Formula

  • C15-H14-N2-O4.Cl-H

Molecular Formula Fragments

  • C15-H14-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14N2O4.ClH/c18-15(13-3-5-14(6-4-13)17(19)20)21-11-1-2-12-7-9-16-10-8-12;/h3-10H,1-2,11H2;1H

InChIKey

ZNXASGZRDKKZSW-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)[N+](=O)[O-])(=O)OCCCc1ccncc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 151, 1966.