Structure

InChI Key KSADBGVWHQJPAL-UHFFFAOYSA-N
Smile CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
InChI
InChI=1S/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h3-5,7,11-15H,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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Substance-Related Disorders 2 D019966 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1568057
EPA CompTox DTXSID4045391
FDA SRS GJ20H50YF0
SureChEMBL SCHEMBL41815