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2D Structure
Also known as: 123447-62-1, Pruvel, Nm441, Quisnon, Nm-441, Prulifloxacin [inn]
Molecular Formula
C21H20FN3O6S
Molecular Weight
461.5  g/mol
InChI Key
PWNMXPDKBYZCOO-UHFFFAOYSA-N
FDA UNII
J42298IESW

Prulifloxacin has been investigated for the treatment of Urinary Tract Infection.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
2.1.2 InChI
InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
2.1.3 InChI Key
PWNMXPDKBYZCOO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C
2.2 Other Identifiers
2.2.1 UNII
J42298IESW
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxelen-4-yl)methyl-1-piperazinyl)-4-oxo-4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid

2. Nm 441

3. Nm-441

4. Nm441

2.3.2 Depositor-Supplied Synonyms

1. 123447-62-1

2. Pruvel

3. Nm441

4. Quisnon

5. Nm-441

6. Prulifloxacin [inn]

7. Sword

8. Nm 441

9. Prulifloxacin (hydrochloride)

10. 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

11. J42298iesw

12. Nsc-759833

13. 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

14. Ncgc00164615-01

15. Prulifloxacin 100 Microg/ml In Acetonitrile

16. Dsstox_cid_26480

17. Dsstox_rid_81651

18. Dsstox_gsid_46480

19. 1h,4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)-1-piperazinyl)-4-oxo-

20. 1h,4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-

21. 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1h,4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

22. Ccris 7686

23. Cas-123447-62-1

24. Unii-j42298iesw

25. Pufloxacin Dioxolil

26. 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

27. Prulifloxacin [mi]

28. Prulifloxacin [jan]

29. Mls006011767

30. Prulifloxacin [mart.]

31. Prulifloxacin [who-dd]

32. Chembl422648

33. Nad-441a

34. Opt-99

35. Schembl1650794

36. Dtxsid0046480

37. Chebi:32071

38. Bcp12727

39. Hy-b0024

40. Tox21_112235

41. Bbl034010

42. Mfcd00864847

43. S2071

44. Stk626148

45. Akos005559236

46. Nm441;af 3013

47. Prulifloxacin (nm441, Af 3013)

48. Tox21_112235_1

49. Ac-2012

50. Af 3012

51. Db11892

52. Nsc 759833

53. Sb18983

54. Ncgc00164615-02

55. Ncgc00164615-03

56. (+-)-7-(4-((z)-2,3-dihydroxy-2-butenyl)-1-piperazinyl)-6-fluoro-1-methyl-4-oxo-1h,4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid, Cyclic Carbonate

57. As-13607

58. Smr000046722

59. Ft-0651733

60. P2058

61. F20576

62. 447p621

63. Prulifloxacin, >=98% (perchloric Acid Titration)

64. Sr-01000872596

65. Prulifloxacin, Antibiotic For Culture Media Use Only

66. Q-101929

67. Q3924793

68. Sr-01000872596-1

69. Brd-a92341659-001-01-6

70. 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl]-4-oxo-1h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 461.5 g/mol
Molecular Formula C21H20FN3O6S
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass461.10568470 g/mol
Monoisotopic Mass461.10568470 g/mol
Topological Polar Surface Area125 Ų
Heavy Atom Count32
Formal Charge0
Complexity931
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


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

J01MA17 - Prulifloxacin