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Chemistry

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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
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 Weight 397.4 g/mol
Molecular Formula C17H14F3N3O3S
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass397.07079698 g/mol
Monoisotopic Mass397.07079698 g/mol
Topological Polar Surface Area95.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity596
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 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.)


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