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    Ibuprofen Lysinate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    PATENTS & EXCLUSIVITIES

    ANALYTICAL

    PharmaCompass
    $ API Ref.Price (USD/KG) : 40Xls

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    2D Structure
    Also known as: Ibuprofen lysine, 57469-76-8, Ibuprofen dl-lysine, Ibuprofen d,l-lysinate, 079x7dl13m, (rs)-2-(4-(2-methylpropyl)phenyl)propanoic acid d,l-lysine salt
    Molecular Formula
    C19H32N2O4
    Molecular Weight
    352.5  g/mol
    InChI Key
    IHHXIUAEPKVVII-UHFFFAOYSA-N
    FDA UNII
    079X7DL13M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
    2.1.2 InChI
    InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)
    2.1.3 InChI Key
    IHHXIUAEPKVVII-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)CC(C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    079X7DL13M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ibuprofen Lysine

    2. 57469-76-8

    3. Ibuprofen Dl-lysine

    4. Ibuprofen D,l-lysinate

    5. 079x7dl13m

    6. (rs)-2-(4-(2-methylpropyl)phenyl)propanoic Acid D,l-lysine Salt

    7. 2,6-diaminohexanoic Acid Compound With 2-(4-isobutylphenyl)propanoic Acid (1:1)

    8. (rs)-2-[4-(2-methylpropyl)phenyl]propanoic Acid D,l-lysine Salt

    9. (2s)-2,6-diaminohexanoic Acid;2-[4-(2-methylpropyl)phenyl]propanoic Acid

    10. Neoprofen;ibuprofen-lys

    11. Starbld0004237

    12. Schembl44616

    13. Unii-079x7dl13m

    14. Dtxsid50432054

    15. Bcp27681

    16. Akos015963349

    17. Ac-19865

    18. Ac-32764

    19. Ft-0670261

    20. Ft-0670262

    21. Lysine, Mono(alpha-methyl-4-(2-methylpropyl)benzeneacetate)

    22. Dl-lysine, Mono(alpha-methyl-4-(2-methylpropyl)benzeneacetate)

    23. Lysine, Alpha-methyl-4-(2-methylpropyl)benzeneacetate (1:1)

    24. Dl-lysine, Mono(.alpha.-methyl-4-(2-methylpropyl)benzeneacetate)

    25. Lysine, .alpha.-methyl-4-(2-methylpropyl)benzeneacetate (1:1)

    26. Lysine, Mono(.alpha.-methyl-4-(2-methylpropyl)benzeneacetate)

    27. Benzeneacetic Acid, .alpha.-methyl-4-(2-methylpropyl)-, Compd. With Lysine (1:1)

    28. Benzeneacetic Acid, Alpha-methyl-4-(2-methylpropyl)-, Compd. With Lysine (1:1)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 352.5 g/mol
    Molecular Formula C19H32N2O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass352.23620751 g/mol
    Monoisotopic Mass352.23620751 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity309
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Pharmacological Classes
    Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]; Anti-Inflammatory Agents, Non-Steroidal [CS]