Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ADS4I3E22M
Parent Compound:

Structure

InChI Key VNVNZKCCDVFGAP-NMFAMCKASA-N
Smiles CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/2C13H21NO3.C4H6O6/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h2*4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H48N2O12
Molecular Weight 628.72
AlogP 1.31
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 17.0

Pharmacology

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

Target Conservation

Protein: Beta-2 adrenergic receptor

Description: Beta-2 adrenergic receptor

Organism : Homo sapiens

P07550 ENSG00000169252

Cross References

Resources Reference
ChEMBL CHEMBL3989693
FDA SRS ADS4I3E22M
PubChem 10349032