VILANTEROL TRIFENATATE

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Synonyms
Status
Molecule Category Salt-form
UNII 40AHO2C6DG
EPA CompTox DTXSID80659232

Structure

InChI Key KLOLZALDXGTNQE-JIDHJSLPSA-N
Smiles O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
InChI
InChI=1S/C24H33Cl2NO5.C20H16O2/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28;21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h5-9,14,24,27-30H,1-4,10-13,15-17H2;1-15H,(H,21,22)/t24-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H49Cl2NO7
Molecular Weight 774.78
AlogP 4.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 91.18
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

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

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEBI 75040
ChEMBL CHEMBL1084172
FDA SRS 40AHO2C6DG
PubChem 44482554
SureChEMBL SCHEMBL164639
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