EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:748612 - bufrolin

Default Structure
ChEBI IDCHEBI:748612
ChEBI Namebufrolin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H16N2O6
Net Charge0
Average Mass356.334
Monoisotopic Mass356.10084
SMILESCCCCc1cc2c(=O)cc(C(=O)O)nc2c2c(=O)cc(C(=O)O)nc12
InChIInChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
InChIKeyBQVIONBNDNFCCP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bufrolin (CHEBI:748612) is a phenanthrolines (CHEBI:48835)
INNs  Source
bufrolinWHO MedNet
bufrolinaWHO MedNet
bufrolineWHO MedNet
Synonym  Source
ICI-74917ChEMBL
Citations