045P414

Synopsis, Chemistry

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Also known as: 163680-77-1, Pazufloxacin mesilate, Pazufloxacin methanesulfonate, Pazucross, Pasil, Pazufloxaxin methanesulfonate

Molecular Formula

C₁₇H₁₉FN₂O₇S

Molecular Weight

414.4 g/mol

InChI Key

UDHGFPATQWQARM-FJXQXJEOSA-N

FDA UNII

2XI226J1HS

1 2D Structure

045P414

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;methanesulfonic acid

2.1.2 InChI

InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1

2.1.3 InChI Key

UDHGFPATQWQARM-FJXQXJEOSA-N

2.1.4 Canonical SMILES

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O.CS(=O)(=O)O

2.1.5 Isomeric SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O.CS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

2XI226J1HS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. T 3762

2. T-3762

2.3.2 Depositor-Supplied Synonyms

1. 163680-77-1

2. Pazufloxacin Mesilate

3. Pazufloxacin Methanesulfonate

4. Pazucross

5. Pasil

6. Pazufloxaxin Methanesulfonate

7. Pazufloxacin (mesylate)

8. 2xi226j1hs

9. T-3762

10. Pazufloxacinmesylate

11. Nsc-759831

12. (2s)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid;methanesulfonic Acid

13. Pazufloxacin Mesylate 100 Microg/ml In Acetonitrile

14. (2s)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic Acid; Methanesulfonic Acid

15. Unii-2xi226j1hs

16. T 3762

17. Mfcd00913262

18. Pasil (tn)

19. Pazufloxacin Mesilate (jp17)

20. Schembl4442183

21. Hy-b0724a

22. Dtxsid80167645

23. Hms3264i18

24. Pharmakon1600-01502319

25. Pazufloxacin Mesilate [jan]

26. Amy18115

27. Bcp11980

28. Nsc759831

29. S3621

30. Pazufloxacin Mesilate [mart.]

31. Akos015852496

32. Akos015895384

33. Pazufloxacin Mesilate [who-dd]

34. Ccg-213820

35. Cs-4497

36. Gm-1172

37. Nsc 759831

38. Pazufloxacin Methanesulfonate [mi]

39. P1962

40. D05382

41. 045p414

42. Q-101928

43. Q27255767

44. Pazufloxacin Mesilate, Vetranal(tm), Analytical Standard

45. Pazufloxacinamesilate, Antibiotic For Culture Media Use Only

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

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

48. (s)-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid Compound With Methanesulfonic Acid (1:1)

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

50. 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic Acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (s)-, Monomethanesulfonate

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

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉FN₂O₇S
Molecular Weight	414.4 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	414.08970028 g/mol
Monoisotopic Mass	414.08970028 g/mol
Topological Polar Surface Area	156 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	695
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	2