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    100986-89-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 100986-89-8, Levofloxacin carboxylic acid, (s)-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, Levofloxacin related compound b, Levofloxacin q-acid, (-)-, 08gt8fy84e
    Molecular Formula
    C13H9F2NO4
    Molecular Weight
    281.21  g/mol
    InChI Key
    NVKWWNNJFKZNJO-YFKPBYRVSA-N
    FDA UNII
    08GT8FY84E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
    2.1.2 InChI
    InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/t5-/m0/s1
    2.1.3 InChI Key
    NVKWWNNJFKZNJO-YFKPBYRVSA-N
    2.1.4 Canonical SMILES
    CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    08GT8FY84E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 100986-89-8

    2. Levofloxacin Carboxylic Acid

    3. (s)-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid

    4. Levofloxacin Related Compound B

    5. Levofloxacin Q-acid, (-)-

    6. 08gt8fy84e

    7. (2s)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

    8. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic Acid

    9. 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic Acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

    10. Ofloxacin Impurity A

    11. (s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    12. Unii-08gt8fy84e

    13. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-aza-phenalene-5-carboxylic Acid

    14. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido-[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    15. 7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

    16. Levofloxacin Related Compound B [usp]

    17. Levofloxacin Impurity F

    18. Levofloxacin Related Compound B Rs [usp]

    19. Schembl2333806

    20. Zinc57096

    21. Dtxsid60143604

    22. Chebi:167723

    23. Mfcd04039905

    24. Akos016002127

    25. Ac-7592

    26. Fs-4544

    27. (3s)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    28. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    29. Cs-0136444

    30. L0238

    31. 86d898

    32. N17092

    33. Levofloxacin Related Compound B [usp-rs]

    34. A897275

    35. Levofloxacin Related Compound B [usp Impurity]

    36. Q27236408

    37. Levofloxacin Hemihydrate Impurity F [ep Impurity]

    38. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-azaphenalene-5-carboxylic Acid

    39. Levofloxacin Related Compound B, United States Pharmacopeia (usp) Reference Standard

    40. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h -pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    41. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    42. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    43. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    44. (3s)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

    45. (3s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid

    46. (s)-(-) 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de][1,4] Benzoxazine-6-carboxylic Acid

    47. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid 97%

    48. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 97%

    49. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de] [1,4]benzoxazine-6-carboxylic Acid

    50. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

    51. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    52. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

    53. (s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic Acid

    54. 6,7-diluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

    55. 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-(3s)-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 281.21 g/mol
    Molecular Formula C13H9F2NO4
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass281.04996409 g/mol
    Monoisotopic Mass281.04996409 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity495
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1