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    Clinafloxacin

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 105956-97-6, 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Clinafloxacin [inn], Ci-960, 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, Am-1091
    Molecular Formula
    C17H17ClFN3O3
    Molecular Weight
    365.8  g/mol
    InChI Key
    QGPKADBNRMWEQR-UHFFFAOYSA-N
    FDA UNII
    8N86XTF9QD
    Clinafloxacin is a fluoroquinolone antibacterial currently under research. It has been proven to present good antibiotic properties. However, its approval and release have been halted due to the presence of serious side effects.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
    2.1.3 InChI Key
    QGPKADBNRMWEQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    8N86XTF9QD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    2. Am 1091

    3. Am-1091

    4. Ci 960

    5. Ci-960

    6. Pd 127,391

    7. Pd 127391

    8. Pd-127,391

    9. Pd-127391

    10. Pd127,391

    2.3.2 Depositor-Supplied Synonyms

    1. 105956-97-6

    2. 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    3. Clinafloxacin [inn]

    4. Ci-960

    5. 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic Acid

    6. Am-1091

    7. 8n86xtf9qd

    8. Clinafloxacin (hydrochloride)

    9. 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    10. Am-1091;ci-960;pd 127391

    11. Am 1091 (hydrochloride); Ci 960 (hydrochloride);pd127391 (hydrochloride)

    12. 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic Acid

    13. Clinafloxacin Ci96 Am1091

    14. Unii-8n86xtf9qd

    15. Pd 127321

    16. Am 1091

    17. Pd 127391

    18. Pd-127391

    19. Clinafloxacin [mi]

    20. Bay-v-3545

    21. Schembl33959

    22. 3-quinolinecarboxylic Acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

    23. Mls000778572

    24. Clinafloxacin (pd127391)

    25. Clinafloxacin [who-dd]

    26. Chembl278255

    27. Chebi:94459

    28. Gtpl10793

    29. Dtxsid80869455

    30. Hms2090o15

    31. Hms2770f24

    32. Hms3714j19

    33. Amy28813

    34. Bcp21182

    35. Hy-b0536

    36. Rkl10079

    37. Am1091

    38. Bbl010979

    39. Bdbm50474311

    40. Mfcd00865120

    41. S4006

    42. Stk802100

    43. Akos005622667

    44. Ccg-220849

    45. Db14025

    46. Ncgc00246499-01

    47. Ac-32467

    48. Pd127391

    49. Smr000415366

    50. Vs-02785

    51. Db-040667

    52. Pd-127321

    53. Ft-0602938

    54. 56c976

    55. Ab00647129-10

    56. Ab00647129_11

    57. Ab00647129_13

    58. Ab00647129_14

    59. A801341

    60. A801342

    61. Clinafloxacin, Vetranal(tm), Analytical Standard

    62. Sr-01000765993

    63. J-001508

    64. Q3680752

    65. Sr-01000765993-2

    66. Brd-a93964801-003-01-7

    67. 7-(3-azaniumylpyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

    68. (+/-)-7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    69. 3-quinolinecarboxylic Acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (+/-)-

    70. 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid, Monohydrochloride

    71. 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacid

    72. 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    73. 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic Acid

    74. 7-(3-amino-pyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    75. 7-(3-amino-pyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    76. 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic Acid;clinafloxacin

    77. 7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic Acid

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 365.8 g/mol
    Molecular Formula C17H17ClFN3O3
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass365.0942473 g/mol
    Monoisotopic Mass365.0942473 g/mol
    Topological Polar Surface Area86.9 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity626
    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.)