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    Also known as: 1029877-94-8, Trelagliptin (succinate), Syr-472, Zafatek, Syr111472 succinate, Syr 111472 succinate
    Molecular Formula
    C22H26FN5O6
    Molecular Weight
    475.5  g/mol
    InChI Key
    OGCNTTUPLQTBJI-XFULWGLBSA-N
    FDA UNII
    4118932Z90
    Trelagliptin Succinate
    1 2D Structure

    Trelagliptin Succinate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile;butanedioic acid
    2.1.2 InChI
    InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1
    2.1.3 InChI Key
    OGCNTTUPLQTBJI-XFULWGLBSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N.C(CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N.C(CC(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4118932Z90
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Syr-472

    2. Trelagliptin

    2.3.2 Depositor-Supplied Synonyms

    1. 1029877-94-8

    2. Trelagliptin (succinate)

    3. Syr-472

    4. Zafatek

    5. Syr111472 Succinate

    6. Syr 111472 Succinate

    7. Trelagliptin Succinate [usan]

    8. Syr-472 Succinate

    9. Syr 472

    10. (r)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl)-4-fluorobenzonitrile Succinate

    11. Syr-111472 Succinate

    12. 2-[[6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile;butanedioic Acid

    13. Butanedioic Acid, Compd. With 2-((6-((3r)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl)-4-fluorobenzonitrile (1:1)

    14. 4118932z90

    15. Syr472

    16. Mfcd22665720

    17. Zafatek (tn)

    18. Unii-4118932z90

    19. Schembl878010

    20. Chembl2105754

    21. Dtxsid00145602

    22. Ex-a378

    23. Trelagliptin Succinate [mi]

    24. Trelagliptin Succinate (jan/usan)

    25. Trelagliptin Succinate [jan]

    26. Hy-15408a

    27. Akos025402003

    28. Ccg-269496

    29. Cs-1042

    30. Trelagliptin Succinate [who-dd]

    31. Ac-28020

    32. As-10248

    33. S5063

    34. D10179

    35. F20669

    36. Trelagliptin Succinate(syr 111472 Succinate)

    37. A852132

    38. Q27258374

    39. (r)-2-[[6-(3-amino-1-piperidyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidinyl]methyl]-4-fluorobenzonitrile

    2.4 Create Date
    2009-09-08
    3 Chemical and Physical Properties
    Molecular Weight 475.5 g/mol
    Molecular Formula C22H26FN5O6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass475.18671173 g/mol
    Monoisotopic Mass475.18671173 g/mol
    Topological Polar Surface Area168 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity750
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    10-Jan-2024
    11-Jun-2024
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