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    Trelagliptin

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,579Xls

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    2D Structure
    Also known as: 865759-25-7, Syr-472, Trelagliptin(syr-472), Trelagliptin [usan], Q836owg55h, Chembl1650443
    Molecular Formula
    C18H20FN5O2
    Molecular Weight
    357.4  g/mol
    InChI Key
    IWYJYHUNXVAVAA-OAHLLOKOSA-N
    FDA UNII
    Q836OWG55H
    Trelagliptin is under investigation in clinical trial NCT03555591 (Specified Drug-Use Survey of Trelagliptin Tablets "Survey on Long-term Use in Patients With Type 2 Diabetes Mellitus").
    1 2D Structure

    2D Structure

    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
    2.1.2 InChI
    InChI=1S/C18H20FN5O2/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/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
    2.1.3 InChI Key
    IWYJYHUNXVAVAA-OAHLLOKOSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N
    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
    2.2 Other Identifiers
    2.2.1 UNII
    Q836OWG55H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Syr-472

    2. Trelagliptin Succinate

    2.3.2 Depositor-Supplied Synonyms

    1. 865759-25-7

    2. Syr-472

    3. Trelagliptin(syr-472)

    4. Trelagliptin [usan]

    5. Q836owg55h

    6. Chembl1650443

    7. 865759-25-7 (free Base)

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

    9. Trelagliptin (usan)

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

    11. 2-[[6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile

    12. Trelagliptin [usan:inn]

    13. Unii-q836owg55h

    14. Trelagliptin(syr472)

    15. Trelagliptin [mi]

    16. Trelagliptin [inn]

    17. Schembl175726

    18. Trelagliptin [who-dd]

    19. Dtxsid00235678

    20. Ex-a470

    21. Chebi:134715

    22. Bdbm50335784

    23. Mfcd22572746

    24. Nsc802901

    25. S7513

    26. Zinc34505198

    27. Akos026674097

    28. Ccg-268122

    29. Cs-1041

    30. Db15323

    31. Nsc-802901

    32. Ncgc00378845-01

    33. Ac-30279

    34. As-75009

    35. Hy-15408

    36. A3889

    37. D10178

    38. A855303

    39. Q27287099

    40. 2-((6-((3r)-3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)- Yl)methyl)-4-fluorobenzonitrile

    41. 2-((6-((3r)-3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl)-4-fluorobenzonitrile

    42. 2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)-4-fluorobenzonitrile

    43. 2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni

    44. 2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

    45. 2-[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-ylmethyl]-4-fluorobenzonitrile

    46. 6rl

    47. Benzonitrile, 2-((6-((3r)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)- Pyrimidinyl)methyl)-4-fluoro-

    48. Benzonitrile, 2-((6-((3r)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl)-4-fluoro-

    2.4 Create Date
    2007-03-27
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C18H20FN5O2
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass357.16010306 g/mol
    Monoisotopic Mass357.16010306 g/mol
    Topological Polar Surface Area93.7 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity657
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1