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Deracoxib

Deracoxib

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Also known as: 169590-41-4, Deramaxx, 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)benzenesulfonamide, Sc 46, Sc 046, Sc 59046

Molecular Formula

C₁₇H₁₄F₃N₃O₃S

Molecular Weight

397.4 g/mol

InChI Key

WAZQAZKAZLXFMK-UHFFFAOYSA-N

FDA UNII

VX29JB5XWV

Deracoxib is a non-steroidal anti-inflammatory drug of the coxib class, used in veterinary medicine to treat osteoarthritis in dogs. It is sold in tablets, which have added beefy flavour to increase palatability. Deramaxx received FDA approval in August 2002 for "the control of post operative pain and inflammation associated with orthopedic surgery in dogs.

1 2D Structure

Deracoxib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

2.1.2 InChI

InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)

2.1.3 InChI Key

WAZQAZKAZLXFMK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)F

2.2 Other Identifiers

2.2.1 UNII

VX29JB5XWV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)benzenesulfonamide

2. Deramaxx

3. Nsc 758935

2.3.2 Depositor-Supplied Synonyms

1. 169590-41-4

2. Deramaxx

3. 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)benzenesulfonamide

4. Sc 46

5. Sc 046

6. Sc 59046

7. Sc-59046

8. Deracoxib [usan]

9. 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl]benzenesulfonamide

10. Vx29jb5xwv

11. Nsc-758935

12. 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

13. Chembl28636

14. Chebi:73032

15. Deracoxib (usan)

16. Ncgc00095312-01

17. Dsstox_cid_25975

18. Dsstox_rid_81266

19. Dsstox_gsid_45975

20. Deram

21. Cas-169590-41-4

22. Deracoxib [usan:inn]

23. Unii-vx29jb5xwv

24. Deracoxibum

25. Deracoxib-[d4]

26. Deracoxib [inn]

27. Deracoxib [mi]

28. Spectrum2_000521

29. Spectrum3_001677

30. Spectrum4_001227

31. Spectrum5_001644

32. Deracoxib [who-dd]

33. Schembl24645

34. Bspbio_003493

35. Kbiogr_001694

36. Spbio_000501

37. Deracoxib [green Book]

38. Dtxsid4045975

39. Kbio3_002713

40. Ex-a887

41. Hms2093m12

42. Hms3886o18

43. Pharmakon1600-01505222

44. Zinc607803

45. Amy31402

46. Bcp04295

47. Tox21_111503

48. Bdbm50057583

49. Ccg-39562

50. Mfcd09837763

51. Nsc758935

52. S5711

53. Sc-046

54. Akos016009604

55. Tox21_111503_1

56. Bcp9000598

57. Db11395

58. Nsc 758935

59. 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide

60. Ncgc00095312-02

61. Ncgc00095312-04

62. 1-propanol, 2,2-dimethyl-, 1-benzoate

63. Ac-33031

64. As-19558

65. Hy-17509

66. Bcp0726000080

67. Sbi-0206729.p001

68. Ft-0665858

69. D03689

70. Ab01563051_01

71. Sr-05000001985

72. J-010565

73. Q5261287

74. Sr-05000001985-1

75. Brd-k68558722-001-02-4

76. 4-[3-difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-benzenesulfonamide

77. Benzenesulfonamide, 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)-

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄F₃N₃O₃S
Molecular Weight	397.4 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	397.07079698 g/mol
Monoisotopic Mass	397.07079698 g/mol
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	596
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 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cyclooxygenase Inhibitors

Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)