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CHEBI:181006 - Indacaterol fumarate

ChEBI IDCHEBI:181006
ChEBI NameIndacaterol fumarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O3.C4H4O4
Net Charge0
Average Mass508.571
Monoisotopic Mass508.22095
SMILESCCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3nc(=O)ccc13)C2.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-;/m0./s1
InChIKeyIREJFXIHXRZFER-XRQUGHPZSA-N
ChEBI Ontology
Outgoing Relation(s)
Indacaterol fumarate (CHEBI:181006) is a hydroxyquinoline (CHEBI:38774)
Indacaterol fumarate (CHEBI:181006) is a quinolone (CHEBI:23765)
IUPAC Name 
(E)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Manual XrefsDatabases
8431179ChemSpider
Registry NumbersSources
CAS:1000160-87-1ChemIDplus