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Balofloxacin

Balofloxacin

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Also known as: 127294-70-6, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Balofloxacin [inn], Bilimin, Q022b63jpm, (+-)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid

Molecular Formula

C₂₀H₂₄FN₃O₄

Molecular Weight

389.4 g/mol

InChI Key

MGQLHRYJBWGORO-UHFFFAOYSA-N

FDA UNII

Q022B63JPM

1 2D Structure

Balofloxacin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

2.1.2 InChI

InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)

2.1.3 InChI Key

MGQLHRYJBWGORO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

2.2 Other Identifiers

2.2.1 UNII

Q022B63JPM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidine-1-yl)-4-oxoquinoline-3-carboxylic Acid

2. Q 35

3. Q-35

2.3.2 Depositor-Supplied Synonyms

1. 127294-70-6

2. 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

3. Balofloxacin [inn]

4. Bilimin

5. Q022b63jpm

6. (+-)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic Acid

7. 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic Acid

8. Ncgc00167532-01

9. Dsstox_cid_26695

10. Dsstox_rid_81829

11. Unii-q022b63jpm

12. Dsstox_gsid_46695

13. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-

14. Q 35

15. (+/-)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic Acid

16. 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

17. Cas-127294-70-6

18. Chembl1210954

19. (+/-)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic Acid

20. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-

21. Balofloxacin [mi]

22. Balofloxacin [mart.]

23. Balofloxacin [who-dd]

24. Balofloxacin 2-hydrate

25. Schembl134163

26. Dtxsid5046695

27. Hms3655n15

28. Hy-b0159

29. Rkl10070

30. Tox21_112529

31. Mfcd00864925

32. S2064

33. Akos015900452

34. Tox21_112529_1

35. Ccg-268516

36. Cs-1991

37. Ks-5214

38. Ncgc00167532-02

39. (+-)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline Arboxylic Acid

40. 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidino]-4-oxo-3-quinolinecarboxylicacid

41. 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic Acid

42. B4354

43. Ft-0602907

44. Sw220155-1

45. Ab01566884_01

46. Balofloxacin, Vetranal(tm), Analytical Standard

47. 294b706

48. A805677

49. Sr-01000872576

50. J-700148

51. Q3633495

52. Sr-01000872576-1

53. 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic Acid

54. 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxoquinoline-3-carboxylic Acid

55. 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic Acid

56. 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄FN₃O₄
Molecular Weight	389.4 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	389.17508442 g/mol
Monoisotopic Mass	389.17508442 g/mol
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	668
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	1

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.)