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Also known as: 778576-62-8, N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methylsulfonamido)dibenzo[b,d]furan-1-carboxamide, Oglemilast [inn], 67gxq6wcc6, N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide, Grc 3845

Molecular Formula

C₂₀H₁₃Cl₂F₂N₃O₅S

Molecular Weight

516.3 g/mol

InChI Key

OKFDRAHPFKMAJH-UHFFFAOYSA-N

FDA UNII

67GXQ6WCC6

Oglemilast has been investigated for the treatment of Pulmonary Disease, Chronic Obstructive.

1 2D Structure

Oglemilast

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

2.1.2 InChI

InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)

2.1.3 InChI Key

OKFDRAHPFKMAJH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F

2.2 Other Identifiers

2.2.1 UNII

67GXQ6WCC6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Grc 3886

2. Grc-3886

3. Grc3886

2.3.2 Depositor-Supplied Synonyms

1. 778576-62-8

2. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methylsulfonamido)dibenzo[b,d]furan-1-carboxamide

3. Oglemilast [inn]

4. 67gxq6wcc6

5. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

6. Grc 3845

7. Grc 3886

8. Unii-67gxq6wcc6

9. Grc-3886

10. Oglemilast [who-dd]

11. Schembl220245

12. Chembl4297520

13. Dtxsid70999058

14. Grc3886

15. Bcp21392

16. Zinc72266998

17. Cs-0844

18. Db12375

19. Ncgc00379066-01

20. Hy-15178

21. Grc 3886;grc-3886;grc3886

22. A853039

23. Q27264129

24. 4-difluoromethoxy-8-methanesulfonylamino-dibenzofuran-1-carboxylic Acid (3,5-dichloro-pyridin-4-yl)-amide

25. N-(3,5-dichloropyridin-4(1h)-ylidene)-4-(difluoromethoxy)-8-[(methanesulfonyl)amino]dibenzo[b,d]furan-1-carboxamide

26. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-((methylsulfonyl)amino)dibenzo(b,d)furan-1-carboxamide

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₃Cl₂F₂N₃O₅S
Molecular Weight	516.3 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	514.9921034 g/mol
Monoisotopic Mass	514.9921034 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	810
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1