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2D Structure
Also known as: 42461-84-7, Flunixin meglumin, Banamine, Sch 14714 meglumine, Flumeglumine, Flunixin-s
Molecular Formula
C21H28F3N3O7
Molecular Weight
491.5  g/mol
InChI Key
MGCCHNLNRBULBU-WZTVWXICSA-N
FDA UNII
8Y3JK0JW3U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
2.1.3 InChI Key
MGCCHNLNRBULBU-WZTVWXICSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNCC(C(C(C(CO)O)O)O)O
2.1.5 Isomeric SMILES
CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
8Y3JK0JW3U
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Banamine

2. Finadyne

3. Sch 14714 Meglumine

2.3.2 Depositor-Supplied Synonyms

1. 42461-84-7

2. Flunixin Meglumin

3. Banamine

4. Sch 14714 Meglumine

5. Flumeglumine

6. Flunixin-s

7. Flunixin N-methylglucanine

8. Flunixin (meglumine)

9. Flunixin Meglumine Salt

10. Sch-14714 Meglumine

11. Nsc-759583

12. 8y3jk0jw3u

13. Finadyne

14. Chebi:76144

15. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentaol 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)nicotinate

16. 1-deoxy-1-(methylamino)-d-glucitol 2-(2-methyl-3-(perfluoromethyl)anilino)nicotinate

17. 3-pyridinecarboxylic Acid, 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-, Compd. With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

18. Banamine (veterinary)

19. Flunixin Meglumine [usan]

20. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic Acid

21. Smr000875279

22. Sr-05000001901

23. Einecs 255-836-0

24. Unii-8y3jk0jw3u

25. Flunixin Meglumine [usan:usp]

26. Flunixin Meglumine (usp)

27. Banamine [vetarynary] (tn)

28. Schembl43691

29. Bspbio_002558

30. 2-(alpha(sup 3),alpha(sup 3),alpha(sup 3)-trifluoro-2,3-xylidino)nicotinic Acid Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

31. Mls001333159

32. Mls002153985

33. Spectrum1505113

34. Chembl1733447

35. Hms2093i10

36. Hms2234k05

37. Hms3884j07

38. Pharmakon1600-01505113

39. Flunixin Meglumine [mart.]

40. Flunixin Meglumine [usp-rs]

41. Hy-b0386

42. Flunixin Meglumine Salt [mi]

43. Mfcd01725419

44. Nsc759583

45. S2108

46. Flunixin Meglumine, >=98% (hplc)

47. Akos015895954

48. Ac-6012

49. Ccg-213338

50. Flunixin Meglumine [green Book]

51. Ks-5126

52. Nsc 759583

53. Ncgc00180889-01

54. 2-((2-methyl-3-(trifluoromethyl)-phenyl)amino)-3-pyridinecarboxylic Acid With Meglumine Compounded

55. D-glucitol, 1-deoxy-1-(methylamino)-, 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate (salt)

56. Flunixin Meglumine [usp Monograph]

57. Sw196448-3

58. Flunixin Meglumine 100 Microg/ml In Methanol

59. D04216

60. H10204

61. Ab00920714_05

62. Ab00920714_06

63. 461f847

64. Flunixin Meglumine 100 Microg/ml In Acetonitrile

65. Q-201124

66. Sr-05000001901-1

67. Sr-05000001901-3

68. Q27145782

69. Flunixin Meglumine, European Pharmacopoeia (ep) Reference Standard

70. Flunixin Meglumine, United States Pharmacopeia (usp) Reference Standard

71. Flunixin Meglumine, Pharmaceutical Secondary Standard; Certified Reference Material

72. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentaol 2-(2-methyl-3-(trifluoromethyl)phenylamino)nicotinate

73. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentaol2-((2-methyl-3-(trifluoromethyl)phenyl)amino)nicotinate

74. 1-deoxy-1-(methylazaniumyl)-d-glucitol 2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}nicotinate

75. 2-(.alpha.(sup 3),.alpha.(sup 3),.alpha.(sup 3)-trifluoro-2,3-xylidino)nicotinic Acid Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

76. 2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}nicotinic Acid--1-deoxy-1-(methylamino)-d-glucitol (1/1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 491.5 g/mol
Molecular Formula C21H28F3N3O7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass491.18793473 g/mol
Monoisotopic Mass491.18793473 g/mol
Topological Polar Surface Area175 Ų
Heavy Atom Count34
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)


Antipyretics

Drugs that are used to reduce body temperature in fever. (See all compounds classified as Antipyretics.)