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    Delafloxacin Meglumine

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    2D Structure
    Also known as: 352458-37-8, Delafloxacin (meglumine), Rx-3341 meglumine, Wq-3034 meglumine, Delafloxacin meglumine [usan], N7v53u4u4t
    Molecular Formula
    C25H29ClF3N5O9
    Molecular Weight
    636.0  g/mol
    InChI Key
    AHJGUEMIZPMAMR-WZTVWXICSA-N
    FDA UNII
    N7V53U4U4T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
    2.1.2 InChI
    InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
    2.1.3 InChI Key
    AHJGUEMIZPMAMR-WZTVWXICSA-N
    2.1.4 Canonical SMILES
    CNCC(C(C(C(CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
    2.1.5 Isomeric SMILES
    CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
    2.2 Other Identifiers
    2.2.1 UNII
    N7V53U4U4T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 352458-37-8

    2. Delafloxacin (meglumine)

    3. Rx-3341 Meglumine

    4. Wq-3034 Meglumine

    5. Delafloxacin Meglumine [usan]

    6. N7v53u4u4t

    7. Abt-492 Meglumine

    8. Unii-n7v53u4u4t

    9. 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

    10. Delafloxacin Meglumine (usan)

    11. 1-deoxy-1-(methylamino)-d-glucitol 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (salt)

    12. D-glucitol, 1-deoxy-1-(methylamino)-, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylate (salt)

    13. Baxdela (tn)

    14. Abt492 Meglumine

    15. Schembl300983

    16. Chembl2105638

    17. Dtxsid90188740

    18. Delafloxacin Meglumine [mi]

    19. (2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-(methylamino)hexyl 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquin

    20. Ex-a3992

    21. Hy-14814a

    22. S4488

    23. Wq-3034 And Abt-492

    24. Akos025404885

    25. Cs-1479

    26. Delafloxacin Meglumine [who-dd]

    27. Ac-36496

    28. Bs-16614

    29. Delafloxacin Meglumine [orange Book]

    30. Abt-492;rx-3341;wq-3034;baxdela

    31. D09331

    32. D70784

    33. A874684

    34. Q27284685

    35. Delafloxacin Meglumine (abt492 Meglumine; Rx-3341 Meglumine; Wq-3034 Meglumine)

    36. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentaol 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 636.0 g/mol
    Molecular Formula C25H29ClF3N5O9
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count9
    Exact Mass635.1605897 g/mol
    Monoisotopic Mass635.1605897 g/mol
    Topological Polar Surface Area233 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity889
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameBAXDELA
    Active IngredientDELAFLOXACIN MEGLUMINE
    CompanyMELINTA THERAPS INC (Application Number: N208610); MELINTA THERAPS INC (Application Number: N208611)

    5 Pharmacology and Biochemistry
    5.1 FDA Pharmacological Classification
    5.1.1 Pharmacological Classes
    Fluoroquinolones [CS]; Fluoroquinolone Antibacterial [EPC]