CAS 86393-33-1

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3 End Use APIs
8 Related Intermediates

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Chemistry

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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

CAS 86393-33-1

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 Formula	C₁₃H₉ClFNO₃
Molecular Weight	281.66 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	281.0254990 g/mol
Monoisotopic Mass	281.0254990 g/mol
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	463
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1