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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

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1 NDC API
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Synopsis

ACTIVE PHARMA INGREDIENTS

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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

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 Formula	C₁₆H₁₁F₄N₃O₂S
Molecular Weight	385.3 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	385.05081042 g/mol
Monoisotopic Mass	385.05081042 g/mol
Topological Polar Surface Area	86.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	579
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

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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