Structure

InChI Key MKFFGUZYVNDHIH-UHFFFAOYSA-N
Smiles CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
InChI
InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H36N2O10S
Molecular Weight 520.6
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

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
ChEMBL CHEMBL1568057
FDA SRS GJ20H50YF0
SureChEMBL SCHEMBL41815