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    Technical details about CAS 709031-43-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 709031-43-6

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 709031-43-6, Tert-butyl n-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate, Boc-saxagliptin, Tert-butyl [(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate, Saxagliptin impurity 16, Bcp06845
    Molecular Formula
    C23H33N3O4
    Molecular Weight
    415.5  g/mol
    InChI Key
    DZEAFYQJPRVNIQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate
    2.1.2 InChI
    InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)
    2.1.3 InChI Key
    DZEAFYQJPRVNIQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(C(=O)N1C(CC2C1C2)C#N)C34CC5CC(C3)CC(C5)(C4)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 709031-43-6

    2. Tert-butyl N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

    3. Boc-saxagliptin

    4. Tert-butyl [(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate

    5. Saxagliptin Impurity 16

    6. Bcp06845

    7. Saxagliptin Impurity 16 Pound>>n-[(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-carbamic Acid 1,1-dimethylethyl Ester

    2.3 Create Date
    2011-10-30
    3 Chemical and Physical Properties
    Molecular Weight 415.5 g/mol
    Molecular Formula C23H33N3O4
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass415.24710654 g/mol
    Monoisotopic Mass415.24710654 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity810
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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