VILANTEROL TRIFENATATE

Search structure
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 40AHO2C6DG

Structure
InChI Key KLOLZALDXGTNQE-JIDHJSLPSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 4 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 75040
ChEMBL CHEMBL1084172
EPA CompTox DTXSID80659232
FDA SRS 40AHO2C6DG
PubChem 44482554
SureChEMBL SCHEMBL164639
CONTENTS