Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
RN: 121866-02-2
InChIKey: QLBDZFYFCZJNTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-N3-O

Molecular Weight

  • 225.2499
 
* 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

Synonyms

  • (+-)-2,3,4,4a,5,6-Hexahydro-3-oxobenzo(h)cinnolin-8-carbonitrile
  • (+-)-8-Cyano-4,4a,5,6-tetrahydrobenzo(h)cinnolin-3(2H)-one
  • BRN 4257831

Systematic Names

  • Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
  • Benzo(h)cinnoline-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-

Registry Numbers

CAS Registry Number

  • 121866-02-2

System Generated Number

  • 0121866022

Structure Descriptors

InChI

1S/C13H11N3O/c14-7-8-1-4-11-9(5-8)2-3-10-6-12(17)15-16-13(10)11/h1,4-5,10H,2-3,6H2,(H,15,17)

InChIKey

QLBDZFYFCZJNTM-UHFFFAOYSA-N

Smiles

c1cc2c(cc1C#N)CCC3C2=NNC(=O)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2277, 1989.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2277, 1989.