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    Danofloxacin Mesylate

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

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    2D Structure
    Also known as: 119478-55-6, Danofloxacin mesilate, Danofloxacin methanesulfonate, Advocid, Danofloxacin (mesylate), Danofloxacin mesylate [usan]
    Molecular Formula
    C20H24FN3O6S
    Molecular Weight
    453.5  g/mol
    InChI Key
    APFDJSVKQNSTKF-FXMYHANSSA-N
    FDA UNII
    94F3SX3LEM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
    2.1.3 InChI Key
    APFDJSVKQNSTKF-FXMYHANSSA-N
    2.1.4 Canonical SMILES
    CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    94F3SX3LEM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Advocid

    2. Advocin

    3. Danofloxacin

    2.3.2 Depositor-Supplied Synonyms

    1. 119478-55-6

    2. Danofloxacin Mesilate

    3. Danofloxacin Methanesulfonate

    4. Advocid

    5. Danofloxacin (mesylate)

    6. Danofloxacin Mesylate [usan]

    7. Advocin

    8. Cp-76136-27

    9. 94f3sx3lem

    10. 1-cyclopropyl-6-fluoro-1,4-dihydro-7-((1s,4s)-5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-3-quinolinecarboxylic Acid, Monomethanesulfonate

    11. Cp-76,136-27

    12. 119478-55-6 (mesylate)

    13. Danofloxacin Mesylate (usan)

    14. Danofloxacin Mesylate 100 Microg/ml In Acetonitrile

    15. 1-cyclopropyl-6-fluoro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic Acid;methanesulfonic Acid

    16. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-, (1s)-, Monomethanesulfonate

    17. Danofloxacin Mesilate Hydrate [jan]

    18. Unii-94f3sx3lem

    19. Advocid (tn)

    20. Cp 76,136-27

    21. Danofloxacin Mesilate Hydrate

    22. Schembl418388

    23. Danofloxacin Monomethanesulfonate

    24. Chembl2106153

    25. Dtxsid30922988

    26. Chebi:181474

    27. 1-cyclopropyl-6-fluoro-7-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Compound With Methanesulfonic Acid (1:1)

    28. Hy-b0501

    29. Mfcd00673687

    30. S3058

    31. Danofloxacin Mesilate [mart.]

    32. Akos015895387

    33. 2,4-dimethylpyrrole-3-carboxylicacid?

    34. Ccg-269267

    35. 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinolinecarboxylic Acid Mesylate

    36. As-75249

    37. Danofloxacin Methanesulfonate [mi]

    38. Danofloxacin Mesylate 100 Microg/ml In Water

    39. C71643

    40. D-0245

    41. D03646

    42. Danofloxacin Mesylate 100 Microg/ml In Methanol

    43. 478d556

    44. Q27271680

    45. Danofloxacin Mesylate, Antibiotic For Culture Media Use Only

    46. 1-cyclopropyl-6-fluoro-7-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Methanesulfonic Acid Salt

    47. 1-cyclopropyl-6-fluoro-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid--methanesulfonic Acid (1/1)

    48. 1-cyclopropyl-6-fluoro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid; Methanesulfonic Acid

    49. 1-cyclopropyl-6-luoro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic Acid;methanesulonic Acid

    50. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-, Methanesulfonate (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 453.5 g/mol
    Molecular Formula C20H24FN3O6S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count3
    Exact Mass453.13698483 g/mol
    Monoisotopic Mass453.13698483 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity772
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)