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Suanfarma Suanfarma

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    Technical details about L-Alfa-Glu-Afc, learn more about the structure, uses, toxicity, action, side effects and more

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    L-Alfa-Glu-Afc

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

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    2D Structure
    1. Also known as:
    Molecular Formula
    C15H13F3N2O5
    Molecular Weight
    358.27  g/mol
    InChI Key
    KGZJCDGDEWBTKI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-5-oxo-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentanoic acid
    2.1.2 InChI
    InChI=1S/C15H13F3N2O5/c16-15(17,18)9-6-13(23)25-11-5-7(1-2-8(9)11)20-14(24)10(19)3-4-12(21)22/h1-2,5-6,10H,3-4,19H2,(H,20,24)(H,21,22)
    2.1.3 InChI Key
    KGZJCDGDEWBTKI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1NC(=O)C(CCC(=O)O)N)OC(=O)C=C2C(F)(F)F
    2.2 Create Date
    2009-08-08
    3 Chemical and Physical Properties
    Molecular Weight 358.27 g/mol
    Molecular Formula C15H13F3N2O5
    XLogP3-1.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass358.07765601 g/mol
    Monoisotopic Mass358.07765601 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity590
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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