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    Zabofloxacin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    2D Structure
    Also known as: 1-cyclopropyl-6-fluoro-7-[(8e)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid, (e)-1-cyclopropyl-6-fluoro-7-(8-(methoxyimino)-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, Schembl13246549, Tqp0864, Db12479
    Molecular Formula
    C19H20FN5O4
    Molecular Weight
    401.4  g/mol
    InChI Key
    ZNPOCLHDJCAZAH-UCQKPKSFSA-N
    Zabofloxacin has been used in trials studying the treatment of Community Acquired Pneumonia and Chronic Obstructive Pulmonary Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-cyclopropyl-6-fluoro-7-[(8E)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14-
    2.1.3 InChI Key
    ZNPOCLHDJCAZAH-UCQKPKSFSA-N
    2.1.4 Canonical SMILES
    CON=C1CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
    2.1.5 Isomeric SMILES
    CO/N=C\1/CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Dw-224a

    2.2.2 Depositor-Supplied Synonyms

    1. 1-cyclopropyl-6-fluoro-7-[(8e)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic Acid

    2. (e)-1-cyclopropyl-6-fluoro-7-(8-(methoxyimino)-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid

    3. Schembl13246549

    4. Tqp0864

    5. Db12479

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 401.4 g/mol
    Molecular Formula C19H20FN5O4
    XLogP3-0.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass401.14993230 g/mol
    Monoisotopic Mass401.14993230 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity794
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1