Structure

InChI Key HODFCFXCOMKRCG-UHFFFAOYSA-N
Smile CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
InChI
InChI=1S/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H35NO8S
Molecular Weight 557.67
AlogP 5.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 84.86
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3134
ChEMBL CHEMBL1200405
FDA SRS 4E53T3611U
PubChem 35329
SureChEMBL SCHEMBL4371