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Rufloxacin Hydrochloride

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Synopsis

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Chemistry

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Also known as: 101363-10-4, Mf 934, Nsc-759835, Chebi:8909, Rufloxacin (inn), Y521xm2900

Molecular Formula

C₁₇H₁₈FN₃O₃S

Molecular Weight

363.4 g/mol

InChI Key

NJCJBUHJQLFDSW-UHFFFAOYSA-N

FDA UNII

Y521XM2900

Rufloxacin is a quinolone antibiotic.

1 2D Structure

Rufloxacin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

2.1.2 InChI

InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)

2.1.3 InChI Key

NJCJBUHJQLFDSW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F

2.2 Other Identifiers

2.2.1 UNII

Y521XM2900

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 9-fluoro-10-(n-(4'-methyl)piperazinyl)-7-oxo-2,3-dihydro-7h-pyrido(1,2,3de)-1,4-benzothiazine-6-carboxylic Acid

2. Mf 934

3. Mf-934

4. Rufloxacin Hydrobromide

5. Rufloxacin Hydrochloride

6. Rufloxacin Monohydrobromide

7. Rufloxacin Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 101363-10-4

2. Mf 934

3. Nsc-759835

4. Chebi:8909

5. Rufloxacin (inn)

6. Y521xm2900

7. 7h-pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic Acid, 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-

8. Rufloxacine

9. Rufloxacino

10. Rufloxacinum

11. Rufloxacin [inn]

12. 9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic Acid

13. 9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic Acid;9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic Acid

14. Smr000466373

15. Rufloxacine [french]

16. Rufloxacinum [latin]

17. Rufloxacino [spanish]

18. Rufloxacin [inn:ban]

19. Sr-01000612324

20. Ncgc00074024-02

21. Unii-y521xm2900

22. Rufloxacin [mi]

23. Rufloxacin [who-dd]

24. Mls000759502

25. Mls001424127

26. Schembl135502

27. Chembl295619

28. Dtxsid6048412

29. Hms2051k22

30. Hms2090n07

31. Hms3264m18

32. Hms3393k22

33. Hms3715p09

34. Pharmakon1600-01502335

35. Zinc538328

36. Hy-b0902

37. Rkl10066

38. Bbl008945

39. Nsc759835

40. Stk711124

41. Akos004120047

42. Ccg-100908

43. Cs-4367

44. Db13772

45. Nc00158

46. Nsc 759835

47. As-79943

48. Ft-0631011

49. D02474

50. Ab00474020-18

51. Ab00474020-20

52. Ab00474020_21

53. 363r104

54. Q3942356

55. Sr-01000612324-5

56. Sr-01000612324-6

57. 7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.0^{5,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

58. 7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid

59. 8-fluoro-9-(4-methyl-piperazin-1-yl)-6-oxo-2,3-dihydro-6h-1-thia-3a-aza-phenalene-5-carboxylic Acid

60. 8-fluoro-9-(4-methylpiperazin-1-yl)-6-oxo-2,3-dihydro-6h-1-thia-3a-aza-phenalene-5-carboxylic Acid

61. 9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2h-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic Acid

62. 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic Acid

63. 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic Acid

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈FN₃O₃S
Molecular Weight	363.4 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	363.10529078 g/mol
Monoisotopic Mass	363.10529078 g/mol
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Topoisomerase II Inhibitors

Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)

4.2 ATC Code

J - Antiinfectives for systemic use

J01 - Antibacterials for systemic use

J01M - Quinolone antibacterials

J01MA - Fluoroquinolones

J01MA10 - Rufloxacin

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