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    Esflurbiprofen

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 244.26 g/mol
    Molecular Formula C15H13FO2
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass244.08995782 g/mol
    Monoisotopic Mass244.08995782 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity286
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    M - Musculo-skeletal system

    M02 - Topical products for joint and muscular pain

    M02A - Topical products for joint and muscular pain

    M02AA - Antiinflammatory preparations, non-steroids for topical use

    M02AA29 - Esflurbiprofen

    4.2 Metabolism/Metabolites

    (s)-flurbiprofen has known human metabolites that include 4-hydroxy-S-flurbiprofen.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560