EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:754728 - phenbutazone

Default Structure
ChEBI IDCHEBI:754728
ChEBI Namephenbutazone
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC19H20N2O2
Net Charge0
Average Mass308.381
Monoisotopic Mass308.15248
SMILESCCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3
InChIKeyPKYKNPLSFOKASK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
phenbutazone (CHEBI:754728) is a pyrazoles (CHEBI:26410)
phenbutazone (CHEBI:754728) is a ring assembly (CHEBI:36820)