INDACATEROL MALEATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 2JEC1ITX7R

Structure

InChI Key IREJFXIHXRZFER-PCBAQXHCSA-N
Smiles CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\C(=O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32N2O7
Molecular Weight 508.57
AlogP 3.15
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 85.35
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST DailyMed

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEBI 68573
ChEMBL CHEMBL1789842
FDA SRS 2JEC1ITX7R
KEGG D09318
PubChem 9827599
SureChEMBL SCHEMBL523627
ZINC ZINC35801098
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