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CHEBI:748088 - isbogrel

Default Structure
ChEBI IDCHEBI:748088
ChEBI Nameisbogrel
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC18H19NO2
Net Charge0
Average Mass281.355
Monoisotopic Mass281.14158
SMILESO=C(O)CCCC/C=C(/c1ccccc1)c1cccnc1
InChIInChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11-
InChIKeyUWPBQLKEHGGKKD-BOPFTXTBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
isbogrel (CHEBI:748088) is a medium-chain fatty acid (CHEBI:59554)
INN  Source
isbogrelWHO MedNet
Citations