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    Ketoprofen Lysinate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ketoprofen lysinate, 57469-78-0, Ketoprofen lysine salt, Lysyl-ketoprofen, Artrosilene, Ketoprofen l-lysinate
    Molecular Formula
    C22H28N2O5
    Molecular Weight
    400.5  g/mol
    InChI Key
    VHIORVCHBUEWEP-ZSCHJXSPSA-N
    FDA UNII
    5WD00E3D4C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-benzoylphenyl)propanoic acid;(2S)-2,6-diaminohexanoic acid
    2.1.2 InChI
    InChI=1S/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
    2.1.3 InChI Key
    VHIORVCHBUEWEP-ZSCHJXSPSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    5WD00E3D4C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Artrosilene

    2. Lysyl-ketoprofen

    2.3.2 Depositor-Supplied Synonyms

    1. Ketoprofen Lysinate

    2. 57469-78-0

    3. Ketoprofen Lysine Salt

    4. Lysyl-ketoprofen

    5. Artrosilene

    6. Ketoprofen L-lysinate

    7. Ketoprofen (lysinate)

    8. L-lysine, Mono(3-benzoyl-alpha-methylbenzeneacetate)

    9. 5wd00e3d4c

    10. (s)-2,6-diaminohexanoic Acid Compound With 2-(3-benzoylphenyl)propanoic Acid (1:1)

    11. 2-(3-benzoylphenyl)propanoic Acid;(2s)-2,6-diaminohexanoic Acid

    12. Unii-5wd00e3d4c

    13. Artrosilene (tn)

    14. Schembl4623586

    15. Chembl4650345

    16. Hy-b0227a

    17. Ketoprofen Lysine [who-dd]

    18. Ketoprofen Lysine Salt [mi]

    19. Mfcd03701078

    20. Akos025311486

    21. As-17318

    22. Cs-0137969

    23. D08102

    24. 469k780

    25. Q27262959

    26. L-lysine, 3-benzoyl-.alpha.-methylbenzeneacetate (1:1)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 400.5 g/mol
    Molecular Formula C22H28N2O5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass400.19982200 g/mol
    Monoisotopic Mass400.19982200 g/mol
    Topological Polar Surface Area144 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity437
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    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.)