Structure

InChI Key CUQPTVCVZLUXJB-UHFFFAOYSA-N
Smile CC(C)NCC(O)c1ccc(O)c(O)c1.CC(C)NCC(O)c1ccc(O)c(O)c1.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C11H17NO3.H2O4S.2H2O/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4;;/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4);2*1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40N2O12S
Molecular Weight 556.63
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 Adrenergic receptor beta agonist FDA

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL3989521
FDA SRS 925FX3X776
PubChem 656677