EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:752631 - iroxanadine

Default Structure
ChEBI IDCHEBI:752631
ChEBI Nameiroxanadine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC14H20N4O
Net Charge0
Average Mass260.341
Monoisotopic Mass260.16371
SMILESc1cncc(C2=NC(CN3CCCCC3)CON2)c1
InChIInChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)
InChIKeyQWVRTSZDKPRPDF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
iroxanadine (CHEBI:752631) is a pyridines (CHEBI:26421)
INNs  Source
iroxanadinaWHO MedNet
iroxanadineWHO MedNet
Synonym  Source
Iroxanadine, (-)-ChEMBL