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Overview

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100986-89-8
PharmaCompass
100986-89-8
Also known as: 100986-89-8, Levofloxacin carboxylic acid, (s)-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, Unii-08gt8fy84e, 08gt8fy84e, Levofloxacin acid
Molecular Formula
C13H9F2NO4
Molecular Weight
281.21  g/mol
InChI Key
NVKWWNNJFKZNJO-YFKPBYRVSA-N
FDA UNII
08GT8FY84E

1 2D Structure

100986-89-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
2.1.2 InChI
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/t5-/m0/s1
2.1.3 InChI Key
NVKWWNNJFKZNJO-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
2.1.5 Isomeric SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
08GT8FY84E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 100986-89-8

2. Levofloxacin Carboxylic Acid

3. (s)-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid

4. Unii-08gt8fy84e

5. 08gt8fy84e

6. Levofloxacin Acid

7. (3s)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

8. 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic Acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

9. Levofloxacin Q-acid, (-)-

10. Levofloxacin Related Compound B

11. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h- Pyrido (1,2,3-de)-1,4-benzoxazine-6-carboxylic Acid

12. 7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

13. Ak-56895

14. Levofloxacin Related Compound B [usp]

15. Levofloxacin Related Compound B Rs [usp]

16. Ac1lelv0

17. Schembl2333806

18. Ctk0h4797

19. Zinc57096

20. Dtxsid60143604

21. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-aza-phenalene-5-carboxylic Acid

22. Nvkwwnnjfkznjo-yfkpbyrvsa-n

23. 7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

24. 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-(3s)-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

25. Ks-00000h1d

26. Anw-58925

27. Akos016002127

28. Ac-7592

29. Acn-038327

30. Fs-4544

31. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic Acid

32. Aj-09575

33. Bc209423

34. Sc-15832

35. Ab0088529

36. Ax8150630

37. Ft-0642442

38. L0238

39. 86d898

40. Levofloxacin Carboxylic Acid (levofloxacin Difluoro Impurity)

41. Unii-501w86694z Component Nvkwwnnjfkznjo-yfkpbyrvsa-n

42. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-azaphenalene-5-carboxylic Acid

43. Levofloxacin Related Compound B, United States Pharmacopeia (usp) Reference Standard

44. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h -pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

45. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

46. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

47. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

48. (3s)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

49. (3s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid

50. (s)-(-) 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de][1,4] Benzoxazine-6-carboxylic Acid

51. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

52. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid 97%

53. (s)-(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 97%

54. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de] [1,4]benzoxazine-6-carboxylic Acid

55. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

56. (s)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic Acid

57. (s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

2.4 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 281.21 g/mol
Molecular Formula C13H9F2NO4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass281.049964 g/mol
Monoisotopic Mass281.049964 g/mol
Topological Polar Surface Area66.8 A^2
Heavy Atom Count20
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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