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Chemistry

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Also known as: 170569-88-7, Trocoxil, Pha-739521, Pha 739,521, Yft7x7sr77, Chembl28527
Molecular Formula
C16H11F4N3O2S
Molecular Weight
385.3  g/mol
InChI Key
TTZNQDOUNXBMJV-UHFFFAOYSA-N
FDA UNII
YFT7X7SR77

Mavacoxib
1 2D Structure

Mavacoxib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
2.1.2 InChI
InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
2.1.3 InChI Key
TTZNQDOUNXBMJV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F
2.2 Other Identifiers
2.2.1 UNII
YFT7X7SR77
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide

2.3.2 Depositor-Supplied Synonyms

1. 170569-88-7

2. Trocoxil

3. Pha-739521

4. Pha 739,521

5. Yft7x7sr77

6. Chembl28527

7. 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzene-1-sulfonamide

8. Chebi:76207

9. Mavacoxib (usan)

10. Mavacoxib [usan]

11. 4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide

12. 4-[5-(4-fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide

13. 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide

14. Benzenesulfonamide, 4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)-

15. Mavacoxib [usan:inn]

16. Unii-yft7x7sr77

17. Mavacoxibum

18. 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

19. Mavacoxib [inn]

20. Mavacoxib [mi]

21. Schembl212699

22. Dtxsid90168880

23. Bcp15454

24. Zinc3814698

25. Bdbm50057564

26. Mfcd28138640

27. S6685

28. Akos030241943

29. At19475

30. Mavacoxib [ema Epar Veterinary]

31. Ncgc00510931-01

32. As-78391

33. Hy-119447

34. Cs-0068402

35. D04863

36. E-6113

37. Q6794110

38. 4-[5-(4-fluorophenyl)-3-trifluoromethyl-1h-pyrazol-1-yl]benzenesulfonamide

39. 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-benzenesulfonamide

40. Pha-739521; Pha739521; Pha 739521; Pha 739,521; Pha739,521; Pha-739,521

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 385.3 g/mol
Molecular Formula C16H11F4N3O2S
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass385.05081042 g/mol
Monoisotopic Mass385.05081042 g/mol
Topological Polar Surface Area86.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

For the treatment of pain and inflammation associated with degenerative joint disease in dogs in cases where continuous treatment exceeding one month is indicated.


5 Pharmacology and Biochemistry
5.1 ATC Code

QM01AH92


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