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    Nadifloxacin

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    $ API Ref.Price (USD/KG) : 2,303Xls

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    2D Structure
    Also known as: 124858-35-1, Jinofloxacin, Acuatim, Opc-7251, Nadixa, Opc 7251
    Molecular Formula
    C19H21FN2O4
    Molecular Weight
    360.4  g/mol
    InChI Key
    JYJTVFIEFKZWCJ-UHFFFAOYSA-N
    FDA UNII
    6CL9Y5YZEQ
    Nadifloxacin has been used in trials studying the treatment of Acne Vulgaris.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)
    2.1.3 InChI Key
    JYJTVFIEFKZWCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6CL9Y5YZEQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1h,5h-benzo(i,j)quinolizine-2-carboxylic Acid

    2. Opc 7251

    3. Opc-7251

    4. R-ndfx

    5. S-ndfx

    2.3.2 Depositor-Supplied Synonyms

    1. 124858-35-1

    2. Jinofloxacin

    3. Acuatim

    4. Opc-7251

    5. Nadixa

    6. Opc 7251

    7. Nadifloxacine

    8. Ndfx

    9. Chebi:31889

    10. Opc7251

    11. 6cl9y5yzeq

    12. Nsc-759622

    13. S-nadifloxacin

    14. 9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic Acid

    15. Ncgc00164620-01

    16. Nadifloxacino

    17. Nadifloxacinum

    18. Dsstox_cid_26483

    19. Dsstox_rid_81654

    20. Dsstox_gsid_46483

    21. 1h,5h-benzo(ij)quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-

    22. 9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1h,5h-pyrido[3,2,1-ij]quinoline-2-carboxylic Acid

    23. Nadifloxacine [inn-french]

    24. Nadifloxacinum [inn-latin]

    25. Nadifloxacino [inn-spanish]

    26. 7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic Acid

    27. Ccris 4066

    28. Cas-124858-35-1

    29. Sr-05000001516

    30. Unii-6cl9y5yzeq

    31. Nadoxin

    32. Nadifloxacin [inn:ban:jan]

    33. 1h,5h-benzo[ij]quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-

    34. Acuatim (tn)

    35. Nadifloxacin (jan/inn)

    36. Nadifloxacin [mi]

    37. Nadifloxacin [inn]

    38. Nadifloxacin [jan]

    39. Schembl36593

    40. Nadifloxacin [mart.]

    41. 1h,5h-benzo(ij)quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-, (+-)-

    42. Mls002154166

    43. Nadifloxacin [who-dd]

    44. Chembl363449

    45. Dtxsid5046483

    46. Hms2090d11

    47. Hms2098o22

    48. Hms2233d22

    49. Hms3373h17

    50. Hms3651j22

    51. Hms3715o22

    52. Pharmakon1600-01502312

    53. Bcp05205

    54. Hy-b0506

    55. Tox21_112239

    56. Bdbm50475222

    57. Mfcd00865081

    58. Nsc759622

    59. S3105

    60. Akos015895271

    61. Tox21_112239_1

    62. Ac-4283

    63. Bcp9000975

    64. Ccg-213817

    65. Db12447

    66. Ks-1210

    67. Nsc 759622

    68. Sb17161

    69. Ncgc00164620-02

    70. (+-)-9-fluoro-6,7-dihydro-8-(4-hydroxypiperidino)-5-methyl-1-oxo-1h,5h-benzo(ij)quinolizine-2-carboxylic Acid

    71. 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

    72. Smr001233465

    73. Db-041783

    74. Ft-0631118

    75. N0931

    76. Sw199586-2

    77. D01147

    78. Ab00918517-07

    79. Ab00918517_08

    80. Ab00918517_09

    81. 858n351

    82. Q426605

    83. J-005176

    84. Sr-05000001516-1

    85. Sr-05000001516-3

    86. (+/-)-9-fluoro-6,7-dihydro-8-(4-hydroxypiperidino)-5-methyl-1-oxo-1h,5h-benzo(ij)quinolizine-2-carboxylic Acid

    87. 1h,5h-benzo(ij)quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-, (+/-)-

    88. 7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic Acid

    89. 8-(4-hydroxy-1-piperidyl)-9-fluoro-5-methyl-6,7-dihydro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

    90. 8-fluoro-5,6-dihydro-7-(4-hydroxypiperidino)-4-methyl-1-oxo-4h-3a-aza-1h-phenalene-2-carboxylic Acid

    91. 81962-84-7

    92. 9-fluoro-6,7-dihydro-8-(4-hydroxypiperidino)-5-methyl-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

    93. 9-fluoro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic Acid

    94. 9-fluoro-8-(4-hydroxy-1-piperidyl)-5-methyl-6,7-dihydro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

    95. 9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylicacid

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 360.4 g/mol
    Molecular Formula C19H21FN2O4
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass360.14853532 g/mol
    Monoisotopic Mass360.14853532 g/mol
    Topological Polar Surface Area81.1 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity631
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    Topoisomerase II Inhibitors

    Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)

    4.2 ATC Code

    D - Dermatologicals

    D10 - Anti-acne preparations

    D10A - Anti-acne preparations for topical use

    D10AF - Antiinfectives for treatment of acne

    D10AF05 - Nadifloxacin