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Also known as: 51543-39-6, (s)-flurbiprofen, (s)-(+)-2-fluoro-alpha-methyl-4-biphenylacetic acid, (s)-2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoic acid, S-flurbiprofen, (2s)-2-(2-fluorobiphenyl-4-yl)propanoic acid

Molecular Formula

C₁₅H₁₃FO₂

Molecular Weight

244.26 g/mol

InChI Key

SYTBZMRGLBWNTM-JTQLQIEISA-N

FDA UNII

J5ZZK9P7MX

Esflurbiprofen is under investigation in clinical trial NCT03434197 (Safety and Efficacy of SFPP in Knee Osteoarthritis).

1 2D Structure

Esflurbiprofen

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid

2.1.2 InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1

2.1.3 InChI Key

SYTBZMRGLBWNTM-JTQLQIEISA-N

2.1.4 Canonical SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O

2.1.5 Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

J5ZZK9P7MX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 51543-39-6

2. (s)-flurbiprofen

3. (s)-(+)-2-fluoro-alpha-methyl-4-biphenylacetic Acid

4. (s)-2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoic Acid

5. S-flurbiprofen

6. (2s)-2-(2-fluorobiphenyl-4-yl)propanoic Acid

7. Flurbiprofen, (s)-

8. (s)-2-(2-fluorobiphenyl-4-yl)propanoic Acid

9. Bts 24332

10. Bts-24332

11. Tt-063

12. J5zzk9p7mx

13. (2s)-2-(3-fluoro-4-phenylphenyl)propanoic Acid

14. (s)-2-fluoro-alpha-methyl-4-biphenylacetic Acid

15. Chembl435298

16. Chebi:42446

17. Esflurbiprofen (jan)

18. Esflurbiprofen [jan]

19. (s)-2-fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic Acid

20. Esflurbiprofene

21. Esflurbiprofeno

22. Esflurbiprofenum

23. Sfpp

24. Smr000471846

25. Esflurbiprofene [french]

26. Esflurbiprofenum [latin]

27. (s)-(+)-flurbiprofen

28. Esflurbiprofeno [spanish]

29. Unii-j5zzk9p7mx

30. Esflurbiprofen [inn:ban]

31. Flurwood

32. Urbifen

33. (+)-flurbiprofen

34. Flp

35. Einecs 257-263-1

36. Flurbiprofen-(s)-(+)

37. Esflurbiprofen [inn]

38. Zinc323

39. Mls001066337

40. Mls001333207

41. Mls001333208

42. Schembl505817

43. Gtpl9420

44. Esflurbiprofen [who-dd]

45. (s)-2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoicacid

46. Dtxsid201316678

47. Hms2232e18

48. Hms3649p05

49. Hms3884i06

50. Bcp24046

51. Bdbm50172479

52. Mfcd00866152

53. Nsc685700

54. S1679

55. Akos016844131

56. Ccg-266907

57. Nsc-685700

58. As-78108

59. Hy-15123

60. Nci60_030810

61. Nci60_030811

62. Db-008733

63. Cs-0003779

64. Sw202926-2

65. A21120

66. D10254

67. Sr-01000946685

68. (s)-(+)-2-fluoro-?-methyl-4-biphenylacetic Acid

69. Sr-01000946685-1

70. Q27104495

71. (s)-(+)-2-fluoro-.alpha.-methyl-4-biphenylacetic Acid

72. (2s)-2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic Acid

73. (s)-2-fluoro-.alpha.-methyl-4-biphenylacetic Acid

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃FO₂
Molecular Weight	244.26 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	244.08995782 g/mol
Monoisotopic Mass	244.08995782 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1