Marbofloxacin

Synopsis, Chemistry

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Also known as: 115550-35-1, Marbocyl, Zeniquin, Marbofloxacine, 8x09wu898t, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid

Molecular Formula

C₁₇H₁₉FN₄O₄

Molecular Weight

362.4 g/mol

InChI Key

BPFYOAJNDMUVBL-UHFFFAOYSA-N

FDA UNII

8X09WU898T

Marbofloxacin is a carboxylic acid, part of the third generation of antibiotic fluoroquinolones. It is used in veterinary medicine. A formulation of marbofloxacin combined with clotrimazole and dexamethasone is available under the name Aurizon.

1 2D Structure

Marbofloxacin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

2.1.2 InChI

InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)

2.1.3 InChI Key

BPFYOAJNDMUVBL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F

2.2 Other Identifiers

2.2.1 UNII

8X09WU898T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Marbocyl

2. Marbocyl Fd

2.3.2 Depositor-Supplied Synonyms

1. 115550-35-1

2. Marbocyl

3. Zeniquin

4. Marbofloxacine

5. 8x09wu898t

6. 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic Acid

7. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic Acid

8. Ncgc00166310-01

9. Ro 09-1168

10. Dsstox_cid_26600

11. Dsstox_rid_81755

12. Dsstox_gsid_46600

13. 7h-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic Acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-

14. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2h-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic Acid

15. Marbofloxacin [inn]

16. Marbofloxacino [inn-spanish]

17. Marbofloxacine [inn-french]

18. Marbofloxacinum [inn-latin]

19. Cas-115550-35-1

20. Marbofloxacin [inn:ban]

21. Unii-8x09wu898t

22. Ccris 8212

23. 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic Acid

24. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic Acid

25. Mfcd00864820

26. Marbofloxacin (usp/inn)

27. Marbofloxacin [mi]

28. Oprea1_079403

29. Marbofloxacin [mart.]

30. Schembl134860

31. Chembl478120

32. Dtxsid4046600

33. Chebi:94723

34. Ex-a015

35. Marbofloxacin [green Book]

36. Zinc537947

37. Hy-b0126

38. Rkl10084

39. Marbofloxacin For Peak Identification

40. Tox21_112406

41. S1464

42. Akos015853291

43. Tox21_112406_1

44. Bcp9000896

45. Ccg-229989

46. Cs-1892

47. Db11426

48. Gs-3323

49. Marbofloxacin 100 Microg/ml In Methanol

50. Ncgc00166310-02

51. Ncgc00166310-03

52. 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

53. 7h-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic Acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-

54. 9-fluoro-3,7-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2h-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic Acid

55. Ac-24289

56. Bm164656

57. Db-041275

58. Ft-0628168

59. M2240

60. Marbofloxacin 100 Microg/ml In Acetonitrile

61. D08156

62. H10130

63. Ab01566820_01

64. 550m351

65. Marbofloxacin, Vetranal(tm), Analytical Standard

66. Q909359

67. Sr-01000772975

68. Q-201338

69. Sr-01000772975-2

70. Marbofloxacin, European Pharmacopoeia (ep) Reference Standard

71. Marbofloxacin For Peak Identification, European Pharmacopoeia (ep) Reference Standard

72. 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2- Diazatricyclo[7.3.1.0^5,13^]trideca-5,7,9(13),11-tetraene-11-carboxylic Acid

73. 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0^{5,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

74. 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic Acid

75. 7-fluoro-2-methyl-6-(4-methylpiperazin-4-ium-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate

76. 7h-1,3,4-oxadiazino[6,5,4-ij]quinoline-6-carboxylic Acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-

77. 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl -1-piperazinyl)-7-oxo-7h-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic Acid

78. 9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)- 7-oxo-7h-pyrido[1,2,3-ij][1,2,4]benzoxadiazine-6-carboxylic Acid

2.4 Create Date

2005-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉FN₄O₄
Molecular Weight	362.4 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	362.13903326 g/mol
Monoisotopic Mass	362.13903326 g/mol
Topological Polar Surface Area	76.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	636
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