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    Chemistry

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    Also known as: 709031-78-7
    Molecular Formula
    C18H26ClN3O2
    Molecular Weight
    351.9  g/mol
    InChI Key
    TUAZNHHHYVBVBR-RIKNOMPASA-N
    Saxagliptin Hydrochloride
    1 2D Structure

    Saxagliptin Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3R)-2-[(2R)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12?,13-,14-,15+,17?,18?;/m1./s1
    2.1.3 InChI Key
    TUAZNHHHYVBVBR-RIKNOMPASA-N
    2.1.4 Canonical SMILES
    C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N.Cl
    2.1.5 Isomeric SMILES
    C1[C@@H](N([C@H]2C1C2)C(=O)[C@@H](C34CC5CC(C3)CC(C5)(C4)O)N)C#N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 709031-78-7

    2.3 Create Date
    2012-03-21
    3 Chemical and Physical Properties
    Molecular Weight 351.9 g/mol
    Molecular Formula C18H26ClN3O2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass351.1713548 g/mol
    Monoisotopic Mass351.1713548 g/mol
    Topological Polar Surface Area90.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity609
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    23-Jan-2021
    24-Aug-2024
    KGS
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    DOSAGE - TABLET, EXTENDED RELEASE;ORAL - 1GM;...DOSAGE - TABLET, EXTENDED RELEASE;ORAL - 1GM;EQ 2.5MG BASE

    USFDA APPLICATION NUMBER - 200678

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    USFDA APPLICATION NUMBER - 200678

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    DOSAGE - TABLET, EXTENDED RELEASE;ORAL - 500M...DOSAGE - TABLET, EXTENDED RELEASE;ORAL - 500MG;EQ 5MG BASE

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    DOSAGE - TABLET;ORAL - EQ 2.5MG BASE

    USFDA APPLICATION NUMBER - 22350

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    DOSAGE - TABLET;ORAL - EQ 5MG BASE

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