CHEBI:181006 - Indacaterol fumarate

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ChEBI Name Indacaterol fumarate
ChEBI ID CHEBI:181006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H28N2O3.C4H4O4
Net Charge 0
Average Mass 508.571
Monoisotopic Mass 508.22095
InChI InChI=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
InChIKey IREJFXIHXRZFER-XRQUGHPZSA-N
SMILES O[C@@H](CNC1CC=2C(C1)=CC(=C(C2)CC)CC)C3=C4C(NC(=O)C=C4)=C(O)C=C3.OC(=O)/C=C/C(O)=O
ChEBI Ontology
Outgoing 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 Xref Database
8431179 ChemSpider
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Registry Number Type Source
1000160-87-1 CAS Registry Number ChemIDplus