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    Gepotidacin

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    $ API Ref.Price (USD/KG) : 76,065Xls

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    2D Structure
    Also known as: 1075236-89-3, Gsk2140944, Gsk-2140944, Gsk 2140944, Dvf0pr037d, 3h,8h-2a,5,8a-triazaacenaphthylene-3,8-dione, 2-((4-(((3,4-dihydro-2h-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-, (2r)-
    Molecular Formula
    C24H28N6O3
    Molecular Weight
    448.5  g/mol
    InChI Key
    PZFAZQUREQIODZ-LJQANCHMSA-N
    FDA UNII
    DVF0PR037D
    Gepotidacin has been used in trials studying the treatment of Gonorrhea, Infections, Bacterial, and Infections, Respiratory Tract.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
    2.1.2 InChI
    InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
    2.1.3 InChI Key
    PZFAZQUREQIODZ-LJQANCHMSA-N
    2.1.4 Canonical SMILES
    C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)CC4CN5C(=O)C=CC6=C5N4C(=O)C=N6
    2.1.5 Isomeric SMILES
    C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6
    2.2 Other Identifiers
    2.2.1 UNII
    DVF0PR037D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gsk2140944

    2.3.2 Depositor-Supplied Synonyms

    1. 1075236-89-3

    2. Gsk2140944

    3. Gsk-2140944

    4. Gsk 2140944

    5. Dvf0pr037d

    6. 3h,8h-2a,5,8a-triazaacenaphthylene-3,8-dione, 2-((4-(((3,4-dihydro-2h-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-, (2r)-

    7. (2r)-2-[(4-{[(3,4-dihydro-2h-pyrano[2,3-c]pyridin- 6-yl)methyl]amino}piperidin-1-yl)methyl]-1,2-dihydro- 3h,8h-2a,5,8a-triazaacenaphthylene-3,8-dione

    8. (3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione

    9. (3r)-3-[[4-(3,4-dihydro-2h-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

    10. Gepotidacin [usan:inn]

    11. Unii-dvf0pr037d

    12. 3h,8h-2a,5,8a-triazaacenaphthylene-3,8-dione, 2-[[4-[[(3,4-dihydro-2h-pyrano[2,3-c]pyridin-6-yl)methyl]amino]-1-piperidinyl]methyl]-1,2-dihydro-, (2r)-

    13. Jhn

    14. Gepotidacin [inn]

    15. Gepotidacin (usan/inn)

    16. Gepotidacin [usan]

    17. Gepotidacin [who-dd]

    18. Schembl3332319

    19. Chembl3317856

    20. Gtpl10817

    21. Dtxsid501028208

    22. Bdbm50050549

    23. Gsk 2140944e

    24. Cs-6531

    25. Db12134

    26. Hy-16742

    27. D10878

    28. A857306

    29. Q19597285

    2.4 Create Date
    2008-12-15
    3 Chemical and Physical Properties
    Molecular Weight 448.5 g/mol
    Molecular Formula C24H28N6O3
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass448.22228878 g/mol
    Monoisotopic Mass448.22228878 g/mol
    Topological Polar Surface Area90.4 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity893
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of uncomplicated urogenital gonorrhea

    Treatment of uncomplicated urinary tract infections

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Topoisomerase Inhibitors

    Compounds that inhibit the activity of DNA TOPOISOMERASES. (See all compounds classified as Topoisomerase Inhibitors.)