Also known as: 915133-65-2, Las100977, Las-100977, Qxa167cm6f, 5-((1r)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8- hydroxyquinolin-2(1h)-one, 5-((1r)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one

Molecular Formula

C₂₅H₃₀F₂N₂O₄

Molecular Weight

460.5 g/mol

InChI Key

SFYAXIFVXBKRPK-QFIPXVFZSA-N

FDA UNII

QXA167CM6F

Abediterol has been used in trials studying the treatment of Asthma, Chronic Obstructive Pulmonary Disease (COPD), and Chronic Obstructive Pulmonary Disease (COPD) and Asthma.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1

2.1.3 InChI Key

SFYAXIFVXBKRPK-QFIPXVFZSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(COCCCCCCNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)C(COCCCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F

2.2 Other Identifiers

2.2.1 UNII

QXA167CM6F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-(2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one

2.3.2 Depositor-Supplied Synonyms

1. 915133-65-2

2. Las100977

3. Las-100977

4. Qxa167cm6f

5. 5-((1r)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8- Hydroxyquinolin-2(1h)-one

6. 5-((1r)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one

7. 5-[(1r)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one

8. Abediterol [usan:inn]

9. Unii-qxa167cm6f

10. Las 100977

11. Abediterolum

12. 5-((1r)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one

13. 5-[(1r)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxyquinolin-2(1h)-one

14. Abediterol [inn]

15. Abediterol (usan/inn)

16. Abediterol [usan]

17. Abediterol [who-dd]

18. Schembl241483

19. Gtpl9326

20. Chembl3039530

21. Dtxsid60238605

22. Chebi:142077

23. Bcp24160

24. Bdbm50569863

25. Db12100

26. D10219

27. Q4666480

28. Las100977; Las-100977; Las 100977; Azd-0548

29. 2(1h)-quinolinone, 5-((1r)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1- Hydroxyethyl)-8-hydroxy-

30. 5-[(1r)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one

2.4 Create Date

2006-12-11

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₀F₂N₂O₄
Molecular Weight	460.5 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	460.21736377 g/mol
Monoisotopic Mass	460.21736377 g/mol
Topological Polar Surface Area	90.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Abediterol

Abediterol

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

Filters