INDACATEROL MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2011)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 2JEC1ITX7R

Structure
InChI Key IREJFXIHXRZFER-PCBAQXHCSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
19.84
General disorders and administration site conditions
11.56
Cardiac disorders
8.83
Nervous system disorders
8.67
Musculoskeletal and connective tissue disorders
6.38
Investigations
5.95
Gastrointestinal disorders
5.66
Psychiatric disorders
5.4
Injury, poisoning and procedural complications
5.06
Vascular disorders
4.28
Infections and infestations
3.45
Skin and subcutaneous tissue disorders
3.19
Metabolism and nutrition disorders
2.81

Cross References

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