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    Pegadricase

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Pegsiticase, Pegadricase [usan:inn], Unii-50xb37ekn8, Uricase-peg 20, 50xb37ekn8, 1040753-26-1
    Molecular Formula
    C13H24N2O6
    Molecular Weight
    304.34  g/mol
    InChI Key
    PNFORBBPPMQASU-JTQLQIEISA-N
    Pegadricase is under investigation in clinical trial NCT01021241 (Safety and Efficacy Study of Intravenous Uricase-PEG 20).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-6-[[4-(2-methoxyethoxy)-4-oxobutanoyl]amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C13H24N2O6/c1-20-8-9-21-12(17)6-5-11(16)15-7-3-2-4-10(14)13(18)19/h10H,2-9,14H2,1H3,(H,15,16)(H,18,19)/t10-/m0/s1
    2.1.3 InChI Key
    PNFORBBPPMQASU-JTQLQIEISA-N
    2.1.4 Canonical SMILES
    COCCOC(=O)CCC(=O)NCCCCC(C(=O)O)N
    2.1.5 Isomeric SMILES
    COCCOC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Pegsiticase

    2. Pegadricase [usan:inn]

    3. Unii-50xb37ekn8

    4. Uricase-peg 20

    5. 50xb37ekn8

    6. 1040753-26-1

    7. Q27260829

    8. (198-threonine(s>t))uricase (ec 1.7.3.3, Urate Oxidase) Pichia Jadinii (yeast) (candida Utilis) Tetramer, Carbamates With Alpha-carboxy-omega-methoxypoly(oxyethylene)

    9. Oxidase, Urate (synthetic Candida Utilis), Homotetramer, Compd. With Poly(oxy-1,2-ethanediyl)

    2.3 Create Date
    2014-11-22
    3 Chemical and Physical Properties
    Molecular Weight 304.34 g/mol
    Molecular Formula C13H24N2O6
    XLogP3-3.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count13
    Exact Mass304.16343649 g/mol
    Monoisotopic Mass304.16343649 g/mol
    Topological Polar Surface Area128 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1