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ChEBI
> Main
CHEBI:68573 - indacaterol maleate
Main
ChEBI Ontology
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ChEBI Name
indacaterol maleate
ChEBI ID
CHEBI:68573
Definition
A maleate salt obtained by reaction of indacaterol with one equivalent of maleic acid. Used for treatment of chronic obstructive pulmonary disease.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Molfile
Molfile
Formula
C28H32N2O7
Net Charge
0
Average Mass
508.56290
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-PCBAQXHCSA-N
SMILES
OC(=O)\C=C/C(O)=O.CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Roles Classification
Biological Role
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
Application
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
indacaterol maleate (
CHEBI:68573
)
has part
indacaterol(1+) (
CHEBI:68574
)
indacaterol maleate (
CHEBI:68573
)
has role
β-adrenergic agonist (
CHEBI:35522
)
indacaterol maleate (
CHEBI:68573
)
has role
bronchodilator agent (
CHEBI:35523
)
indacaterol maleate (
CHEBI:68573
)
is a
maleate salt (
CHEBI:50221
)
Incoming
Utibron Neohaler (
CHEBI:90962
)
has part
indacaterol maleate (
CHEBI:68573
)
IUPAC Names
5,6-
diethyl-
N
-
[(2
R
)-
2-
hydroxy-
2-
(8-
hydroxy-
2-
oxo-
1,2-
dihydroquinolin-
5-
yl)ethyl]indan-
2-
aminium (2
Z
)-
3-
carboxyacrylate
5-
{(1
R
)-
2-
[(5,6-
diethyl-
2,3-
dihydro-
1
H
-
inden-
2-
yl)amino]-
1-
hydroxyethyl}-
8-
hydroxyquinolin-
2(1
H
)-
one (2
Z
)-
but-
2-
enedioate
Brand Name
Source
Arcapta neohaler
KEGG DRUG
Manual Xrefs
Databases
D09319
KEGG DRUG
DB05039
DrugBank
HMDB0015608
HMDB
WO2004076422
Patent
WO2004087668
Patent
WO2005110402
Patent
WO2005123684
Patent
WO2008025816
Patent
View more database links
Registry Numbers
Types
Sources
12070553
Reaxys Registry Number
Reaxys
753498-25-8
CAS Registry Number
ChemIDplus
753498-25-8
CAS Registry Number
KEGG DRUG
Citations
Types
Sources
19907722
PubMed citation
Europe PMC
20642373
PubMed citation
Europe PMC
21225012
PubMed citation
Europe PMC
21896467
PubMed citation
Europe PMC
22538621
PubMed citation
Europe PMC
22605898
PubMed citation
Europe PMC
22790232
PubMed citation
Europe PMC
Last Modified
15 January 2016