Tosuxacin

Synopsis, Chemistry

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Also known as: 1400591-39-0, Tosufloxacin tosylate hydrate, Tosufloxacin p-toluenesulfonate hydrate, Tosuxacin, 107097-79-0, Ozex

Molecular Formula

C₂₆H₂₅F₃N₄O₇S

Molecular Weight

594.6 g/mol

InChI Key

SSULTCPIIYRGFQ-UHFFFAOYSA-N

FDA UNII

5L69LG8ZDQ

1 2D Structure

Tosuxacin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrate

2.1.2 InChI

InChI=1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2

2.1.3 InChI Key

SSULTCPIIYRGFQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O

2.2 Other Identifiers

2.2.1 UNII

5L69LG8ZDQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid

2. 7-(3-aminopyrrolin-1-yl)-1-(2,4-diflurophenyl)-1.4-dihydro-6-fluoro-4-oxo-1,8-napthyridine-3-carboxylic Acid

3. A 60969

4. A 61827

5. A-60969

6. A-61827

7. A-64730

8. T 3262

9. T-3262

10. Tosufloxacin

11. Tosufloxacin Citric Anhydride

12. Tosufloxacin, 4-toluene Sulfonate

2.3.2 Depositor-Supplied Synonyms

1. 1400591-39-0

2. Tosufloxacin Tosylate Hydrate

3. Tosufloxacin P-toluenesulfonate Hydrate

4. Tosuxacin

5. 107097-79-0

6. Ozex

7. Tosufloxacin Tosylate Monohydrate

8. Tosufloxacin (tosylate Hydrate)

9. 5l69lg8zdq

10. Tosufloxacin Tosilate Monohydrate

11. Tflx

12. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic Acid;4-methylbenzenesulfonic Acid;hydrate

13. Tosufloxacin Tosilate Hydrate

14. Tosuflo

15. Tosuxacin (tn)

16. Ozex (tn)

17. Tosufloxacintosylatehydrate

18. Unii-5l69lg8zdq

19. T-3262 Tosylate Hydrate

20. A-61827 Tosylate Hydrate

21. Schembl9478630

22. Rac-tosufloxacin Tosylate Hydrate

23. Tn-3262a

24. Chebi:32248

25. Hy-b1802a

26. (rs)-tosufloxacin Tosylate Hydrate

27. T-3262a

28. (+-)-tosufloxacin Tosylate Hydrate

29. Bcp13549

30. Tosufloxacin Monotosylate Monohydrate

31. Racemic Tosufloxacin Tosylate Hydrate

32. Mfcd00873760

33. S5299

34. Tosufloxacin Tosylate Hydrate (jp17)

35. Akos015914730

36. Ac-8909

37. Ccg-270179

38. Cs-5713

39. As-64106

40. Tosufloxacin Tosilate Hydrate [jan]

41. D01996

42. D92605

43. 097t790

44. Tosufloxacin Tosilate Monohydrate [who-dd]

45. Q27114837

46. A-61827 Tosylate Hydrate Pound>>a61827 Tosylate Hydrate Pound>>a 61827 Tosylate Hydrate;1400591-39-0

47. Rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 4-methylbenzenesulfonate--water (1/1)

48. Rac-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid 4-methylbenzenesulfonate--water (1/1)

2.4 Create Date

2005-10-11

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₅F₃N₄O₇S
Molecular Weight	594.6 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Exact Mass	594.13960481 g/mol
Monoisotopic Mass	594.13960481 g/mol
Topological Polar Surface Area	164 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	915
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	3