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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
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.
Supplier Information
No supplier information found for this compound.
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Molfile
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Molfile
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
-
[(2
R
)-
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