SALMETEROL XINAFOATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 6EW8Q962A5
EPA CompTox DTXSID1045798

Structure

InChI Key XTZNCVSCVHTPAI-UHFFFAOYSA-N
Smiles O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
InChI
InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H45NO7
Molecular Weight 603.76
AlogP 4.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 81.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

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
ChEBI 9012
ChEMBL CHEMBL1082607
FDA SRS 6EW8Q962A5
SureChEMBL SCHEMBL18070
CONTENTS