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    CAS-86393-33-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 86393-33-1, Fluoroquinolonic acid, 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, Q-acid
    Molecular Formula
    C13H9ClFNO3
    Molecular Weight
    281.66  g/mol
    InChI Key
    ISPVACVJFUIDPD-UHFFFAOYSA-N
    FDA UNII
    95HKY59ZG6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
    2.1.3 InChI Key
    ISPVACVJFUIDPD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    95HKY59ZG6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86393-33-1

    2. Fluoroquinolonic Acid

    3. 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    4. 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic Acid

    5. 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid

    6. Q-acid

    7. 7-chloro-6-fluoro-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinoline Carboxylic Acid

    8. Ciprofloxacin Impurity A

    9. 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    10. 95hky59zg6

    11. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    12. Mfcd00792458

    13. 7-chloro-1-cyclopropyl-6-fluoro-4-oxohydroquinoline-3-carboxylic Acid

    14. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

    15. 7-chloro 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    16. 7-chloro-1-cyclopropyl-1,4-dihydro-6-fluoroquinol-4-one-3-carboxylic Acid

    17. 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid (fluoroquinolonic Acid)

    18. Unii-95hky59zg6

    19. St020067

    20. 7-chloro-1-cyclopropyl-6-fluoro-4-oxyhydroquinoline-3-carboxylic Acid

    21. 3-quinolinecarboxylic Acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-

    22. Ec 405-050-0

    23. Ciprofloxacin Ep Impurity A

    24. Dsstox_cid_31635

    25. Dsstox_rid_97519

    26. Dsstox_gsid_57846

    27. Oprea1_261968

    28. Enrofloxacin Impurity A

    29. Schembl2108243

    30. Chembl2260465

    31. Ciprofloxacin Impurity A;q-acid

    32. Dtxsid9057846

    33. Ciprofloxacin Fluoroquinolonic Acid

    34. Zinc403496

    35. Tox21_113798

    36. Ac-227

    37. S5421

    38. Stl481762

    39. Akos000276648

    40. Fluoroquinolonic Acid [usp-rs]

    41. Ccg-267258

    42. Cs-w002677

    43. Hy-w002677

    44. Ps-6798

    45. Sb71632

    46. Ncgc00253674-01

    47. Sy019250

    48. Cas-86393-33-1

    49. Db-056925

    50. Fluoroquinolonic Acid [usp Impurity]

    51. Am20061800

    52. Ft-0621371

    53. Ciprofloxacin Impurity A [ep Impurity]

    54. C28110

    55. 393c331

    56. Aq-358/43278250

    57. Sr-01000944810

    58. Sr-01000944810-1

    59. Q27271791

    60. Z1741960934

    61. Enrofloxacin For Veterinary Use Impurity A [ep Impurity]

    62. 3-carboxy-1-cyclopropyl-7-chloro-6-fluoro-1,4-dihydroquinoline-4-one

    63. 7-chloro-1-cp-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

    64. 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one-3-carboxylic Acid

    65. Ciprofloxacin Impurity A, European Pharmacopoeia (ep) Reference Standard

    66. Fluoroquinolonic Acid, United States Pharmacopeia (usp) Reference Standard

    67. 1,4-dihydro-1-cyclopropyl-4-oxo-6-fluoro-7-chloro-3-quinolinecarboxylic Acid

    68. 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-chloro-3-quinoline Carboxylic Acid

    69. 1-cyclopropyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

    70. 1-cyclopropyl-6-fluoro-7-chloro-1,4-dihydro-4-oxoquinolin-3-carboxylic Acid

    71. 1-cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic Acid

    72. 1-cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    73. 1-cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinolone-3-carboxylic Acid

    74. 1-cyclopropyl-7-chloro-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    75. 3-quinolinecarboxylic Acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo

    76. 3-quinolinecarboxylic Acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

    77. 7 -chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    78. 7-chloro-1-cyclo-propyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    79. 7-chloro-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-quinoline-3-carboxylic Acid

    80. 7-chloro-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic Acid

    81. 7-chloro-1-cyclopropyl-1,4-dihydro-6-fluoro4-oxo-quinoline-3-carboxylic Acid

    82. 7-chloro-1-cyclopropyl-6-fluoro-1, 4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    83. 7-chloro-1-cyclopropyl-6-fluoro-1, 4-dihydro-4-oxoquinoline-3-carboxylic Acid

    84. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo Quinoline-3-carboxylic Acid

    85. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3quinolinecarboxylic Acid

    86. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-quinoline-3carboxylic Acid

    87. 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid, 96%

    88. 7-chloro-1-cyclopropyl-6-fluoro-3-carboxy-1,4-dihydro-4-oxoquinoline

    89. 7-chloro-6-fluoro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

    90. 7-chloro-6-fluoro-1-cyclopropyl-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    91. 7chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    92. Fluoroquinolonic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 281.66 g/mol
    Molecular Formula C13H9ClFNO3
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass281.0254990 g/mol
    Monoisotopic Mass281.0254990 g/mol
    Topological Polar Surface Area57.6 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity463
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1