
IUPAC name
4-[(1R)-2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES
[H][C@](O)(CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl)C1=CC(CO)=C(O)C=C1
Compound class
Immunosuppressive Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; CYP3A4 Inhibitors; Beta2 Agonists;
Therapeutic area
Vilanterol is approved for use in several combination products such as with fluticasone furoate under the tradename Breo Ellipta and in combination with umeclidinium bromide as Anoro Ellipta. Approved by the FDA in 2013, use of Breo Ellipta is indicated for the long-term, once-daily maintenance treatment of airflow obstruction in patients with COPD, including chronic bronchitis and emphysema. It is also indicated for once-daily maintenance treatment of asthma in patients aged 18 or older with reversible obstructive airways disease.
Common name
Vilanterol
IUPAC name
4-[(1R)-2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES
[H][C@](O)(CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl)C1=CC(CO)=C(O)C=C1
INCHI
InChI=1S/C24H33Cl2NO5/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/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1
FORMULA
C24H33Cl2NO5

Common name
Vilanterol
IUPAC name
4-[(1R)-2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular weight
486.429
clogP
6.041
clogS
-7.384
HBond Acceptor
5
HBond Donor
4
Total Polar Surface Area
91.18
Number of Rings
2
Rotatable Bond
16
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00025 | propan-1-amine |
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CCCN | 0.0292 |
FDBF00065 | ethylene glycol |
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C(O)CO | 0.0265 |
FDBF00086 | hexane |
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CCCCCC | 0.0151 |
FDBF00175 | 1-methoxybutane |
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C(CCC)OC | 0.0027 |
FDBF00287 | 2-(methylamino)ethanol |
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C(CO)NC | 0.0089 |
FDBF00729 | 2-(ethylamino)ethanol |
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N(CCO)CC | 0.0065 |
FDBF00795 | pentan-1-ol |
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OCCCCC | 0.0038 |
FDBF01249 | 2-ethoxyethanol |
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CCOCCO | 0.0024 |
FDBF01411 | 1,2-dimethoxyethane |
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C(OC)COC | 0.0027 |