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CHEBI:754429 - fandosentan

Default Structure
ChEBI IDCHEBI:754429
ChEBI Namefandosentan
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC25H18F3NO6S
Net Charge0
Average Mass517.481
Monoisotopic Mass517.08069
SMILESCCc1cc(C2=C(C(=O)O)N(c3ccccc3C(F)(F)F)S(=O)(=O)c3ccccc32)cc2c1OCO2
InChIInChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31)
InChIKeyYMGQBWRXNCAABF-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
fandosentan (CHEBI:754429) is a benzothiazine (CHEBI:46899)
INN  Source
fandosentanWHO MedNet
Synonym  Source
PD-180988 FREE ACIDChEMBL
Citations