Ibafloxacin

Synopsis, Chemistry

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Also known as: Ibafloxacine, 91618-36-9, Ibaflin, R-835, S-25930, R835

Molecular Formula

C₁₅H₁₄FNO₃

Molecular Weight

275.27 g/mol

InChI Key

DXKRGNXUIRKXNR-UHFFFAOYSA-N

FDA UNII

53VPK9R0T5

1 2D Structure

Ibafloxacin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-fluoro-8,12-dimethyl-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/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)

2.1.3 InChI Key

DXKRGNXUIRKXNR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2C)F)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

53VPK9R0T5

2.3 Synonyms

2.3.1 MeSH Synonyms

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

2. S 25930

3. S-25930

2.3.2 Depositor-Supplied Synonyms

1. Ibafloxacine

2. 91618-36-9

3. Ibaflin

4. R-835

5. S-25930

6. R835

7. 53vpk9r0t5

8. R 835

9. R835;s25930

10. S25930

11. 9-fluoro-6,7-dihydro-5,8-dimethyl-1-oxo-1h,5h-benzo(ij)quinolizine-2-carboxylic Acid

12. S 25930

13. Ibafloxacino

14. Ibafloxacinum

15. 1h,5h-benzo(ij)quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-5,8-dimethyl-1-oxo-

16. Ibafloxacine [inn-french]

17. Ibafloxacinum [inn-latin]

18. Ibafloxacino [inn-spanish]

19. Unii-53vpk9r0t5

20. Ibafloxacin [usan:inn:ban]

21. 1h,5h-benzo[ij]quinolizine-2-carboxylic Acid, 9-fluoro-6,7-dihydro-5,8-dimethyl-1-oxo-

22. Ibafloxacin [mi]

23. Ibafloxacin [inn]

24. Ibafloxacin (usan/inn)

25. Ibafloxacin [usan]

26. Dsstox_cid_31642

27. Dsstox_rid_97526

28. Ibafloxacin [mart.]

29. Dsstox_gsid_57853

30. Schembl154637

31. Chembl170052

32. Dtxsid8057853

33. Gtpl10819

34. Tox21_113686

35. Hy-u00214

36. Cs-7344

37. Fluoro-dimethyl-oxo-[?]carboxylic Acid

38. 6,7-dihydro-5,8-dimethyl-9-fluoro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

39. Ibafloxacin [ema Epar Veterinary]

40. Ncgc00249910-01

41. Cas-91618-36-9

42. D04485

43. Q5983609

44. 6,7-dihydro-5,8-dimethyl-9- Fluoro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic Acid

45. 7-fluoro-8,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic Acid

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄FNO₃
Molecular Weight	275.27 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	275.09577147 g/mol
Monoisotopic Mass	275.09577147 g/mol
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

* Dogs: :

Ibaflin is indicated for the treatment of the following conditions in dogs:

- dermal infections (pyoderma - superficial and deep, wounds, abscesses) caused by susceptible strains of Staphylococci, Escherichia coli and Proteus mirabilis;

- acute, uncomplicated urinary-tract infections, caused by susceptible strains of Staphylococci, Proteus species, Enterobacter spp. , E. coli and Klebsiella spp. ;

- respiratory-tract infections (upper tract) caused by susceptible strains of Staphylococci, E. coli, and Klebsiella spp.

Ibaflin gel is indicated in dogs for the treatment of the following conditions:

- dermal infections (pyoderma - superficial and deep, wounds, abscesses) caused by susceptible pathogens such as Staphylococcus spp. , E. coli and P. mirabilis.

* Cats: :

Ibaflin gel is indicated in cats for treatment of the following conditions:

- dermal infections (soft-tissue infections - wounds, abscesses) caused by susceptible pathogens such as Staphylococcus spp. , E. coli, Proteus spp. and Pasteurella spp. ;

- upper respiratory-tract infections caused by susceptible pathogens such as Staphylococcus spp. , E. coli, Klebsiella spp. and Pasteurella spp.

5 Pharmacology and Biochemistry

5.1 ATC Code

QJ01MA96