CHEBI:68574 - indacaterol(1+)

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ChEBI Name indacaterol(1+)
ChEBI ID CHEBI:68574
Definition An organic cation that is the conjugate acid of indacaterol, obtained by protonation of the secondary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H29N2O3
Net Charge +1
Average Mass 393.49870
Monoisotopic Mass 393.21727
InChI InChI=1S/C24H28N2O3/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/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1
InChIKey QZZUEBNBZAPZLX-QFIPXVFZSA-O
SMILES CCc1cc2CC(Cc2cc1CC)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
ChEBI Ontology
Outgoing indacaterol(1+) (CHEBI:68574) is a ammonium ion derivative (CHEBI:35274)
indacaterol(1+) (CHEBI:68574) is a organic cation (CHEBI:25697)
indacaterol(1+) (CHEBI:68574) is conjugate acid of indacaterol (CHEBI:68575)
Incoming indacaterol maleate (CHEBI:68573) has part indacaterol(1+) (CHEBI:68574)
indacaterol (CHEBI:68575) is conjugate base of indacaterol(1+) (CHEBI:68574)
IUPAC Name
5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium
Synonym Source
indacaterol cation ChEBI
Last Modified
13 November 2012