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Chemistry

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Also known as: 301692-76-2, Cg100649, 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide, Cg-100649, Ij34d6ypao, Cg 100649
Molecular Formula
C18H16FNO4S
Molecular Weight
361.4  g/mol
InChI Key
IJWPAFMIFNSIGD-UHFFFAOYSA-N
FDA UNII
IJ34D6YPAO

Polmacoxib
Polmacoxib has been used in trials studying the treatment of Osteoarthritis, Osteoarthritis, Hip, Osteoarthritis, Knee, Localized Primary Osteoarthritis of Hip, and Localized Primary Osteoarthritis of Knee.
1 2D Structure

Polmacoxib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
2.1.2 InChI
InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
2.1.3 InChI Key
IJWPAFMIFNSIGD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)F)C
2.2 Other Identifiers
2.2.1 UNII
IJ34D6YPAO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cg100649

2.3.2 Depositor-Supplied Synonyms

1. 301692-76-2

2. Cg100649

3. 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide

4. Cg-100649

5. Ij34d6ypao

6. Cg 100649

7. 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

8. 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-benzenesulfonamide

9. 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide

10. Benzenesulfonamide, 4-(3-(3-fluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-

11. Polmacoxib [usan:inn]

12. Unii-ij34d6ypao

13. Polmacoxib [usan]

14. Acelex (s. Korea)

15. Polmacoxibcg100649

16. Polmacoxib [inn]

17. Polmacoxib (usan/inn)

18. Polmacoxib [who-dd]

19. Chembl166863

20. Gtpl8316

21. Schembl3233093

22. Ex-a601

23. Dtxsid901029389

24. Zinc589683

25. Bcp15550

26. Bdbm50474760

27. Akos025149767

28. Db12399

29. Sb17177

30. Da-42861

31. Hy-16726

32. Cs-0012326

33. Ft-0700281

34. D10656

35. A857030

36. J-690277

37. Q19598695

38. Cg100649; Cg-100649; Cg 100649

39. 2-(4-tert-butylphenyl)-1h-benzimidazole, 2-[4-(1,1-dimethylethyl)phenyl]-1h-benzimidazole

40. 5-{4-(aminosulfonyl)phenyl}-2,2-dimethyl-4-(3-fluorophenyl)-3(2h)-furanone

41. 1427301-99-2

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 361.4 g/mol
Molecular Formula C18H16FNO4S
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass361.07840733 g/mol
Monoisotopic Mass361.07840733 g/mol
Topological Polar Surface Area94.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

M - Musculo-skeletal system

M01 - Antiinflammatory and antirheumatic products

M01A - Antiinflammatory and antirheumatic products, non-steroids

M01AH - Coxibs

M01AH07 - Polmacoxib


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