Structure

InChI Key FCSXYHUNDAXDRH-QVRIGTRMSA-N
Smile COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C19H24N2O4.C4H6O6/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-1(3(7)8)2(6)4(9)10/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30N2O10
Molecular Weight 494.5
AlogP 2.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 90.82
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 4 D029424 ClinicalTrials
Bronchitis, Chronic 4 D029481 ClinicalTrials
Bronchitis 3 D001991 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
19.78
General disorders and administration site conditions
12.57
Cardiac disorders
10.08
Nervous system disorders
9.89
Injury, poisoning and procedural complications
6.7
Psychiatric disorders
5.55
Gastrointestinal disorders
5.3
Infections and infestations
5.11
Musculoskeletal and connective tissue disorders
5.04
Skin and subcutaneous tissue disorders
4.85
Investigations
3.77
Vascular disorders
3.7
Immune system disorders
2.17

Cross References

Resources Reference
ChEBI 408174
ChEMBL CHEMBL1951071
FDA SRS 5P8VJ2I235
KEGG D07463
PubChem 9827062
SureChEMBL SCHEMBL545849
ZINC ZINC02599970