100986-89-8

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2 Related Intermediates

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Chemistry

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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, Levofloxacin related compound b, Levofloxacin q-acid, (-)-, 08gt8fy84e

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. Levofloxacin Related Compound B

5. Levofloxacin Q-acid, (-)-

6. 08gt8fy84e

7. (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

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

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

10. Ofloxacin Impurity A

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

12. Unii-08gt8fy84e

13. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-aza-phenalene-5-carboxylic Acid

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

15. 7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3s)-

16. Levofloxacin Related Compound B [usp]

17. Levofloxacin Impurity F

18. Levofloxacin Related Compound B Rs [usp]

19. Schembl2333806

20. Zinc57096

21. Dtxsid60143604

22. Chebi:167723

23. Mfcd04039905

24. Akos016002127

25. Ac-7592

26. Fs-4544

27. (3s)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

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

29. Cs-0136444

30. L0238

31. 86d898

32. N17092

33. Levofloxacin Related Compound B [usp-rs]

34. A897275

35. Levofloxacin Related Compound B [usp Impurity]

36. Q27236408

37. Levofloxacin Hemihydrate Impurity F [ep Impurity]

38. 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6h-1-oxa-3a-azaphenalene-5-carboxylic Acid

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

40. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h -pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

41. (-) -9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

42. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

43. (-)-9,10-difluoro-3(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid

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

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

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

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

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

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

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

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

54. 6,7-diluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

55. 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-(3s)-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 Formula	C₁₃H₉F₂NO₄
Molecular Weight	281.21 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	281.04996409 g/mol
Monoisotopic Mass	281.04996409 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	495
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1