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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

Tosuxacin
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 Weight 594.6 g/mol
Molecular Formula C26H25F3N4O7S
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass594.13960481 g/mol
Monoisotopic Mass594.13960481 g/mol
Topological Polar Surface Area164 Ų
Heavy Atom Count41
Formal Charge0
Complexity915
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

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