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Besifloxacin Hydrochloride

Besifloxacin Hydrochloride

Synopsis, Chemistry

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Also known as: Besifloxacin hcl, 405165-61-9, Besivance, Besifloxacin (hydrochloride), Bol-303224-a, Besifloxacin hydrochloride [usan]

Molecular Formula

C₁₉H₂₂Cl₂FN₃O₃

Molecular Weight

430.3 g/mol

InChI Key

PMQBICKXAAKXAY-HNCPQSOCSA-N

FDA UNII

7506A6J57T

1 2D Structure

Besifloxacin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1

2.1.3 InChI Key

PMQBICKXAAKXAY-HNCPQSOCSA-N

2.1.4 Canonical SMILES

C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl

2.1.5 Isomeric SMILES

C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl

2.2 Other Identifiers

2.2.1 UNII

7506A6J57T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-((3r)-aminohexahydro-1h-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

2. 7-(3-aminohexahydro-1h-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

3. Besifloxacin

4. Besivance

5. Bol-303224-a

2.3.2 Depositor-Supplied Synonyms

1. Besifloxacin Hcl

2. 405165-61-9

3. Besivance

4. Besifloxacin (hydrochloride)

5. Bol-303224-a

6. Besifloxacin Hydrochloride [usan]

7. Ss734

8. Besifloxacin Hcl (besivance)

9. Besifloxacin (as Hydrochloride)

10. Ss-734

11. 7506a6j57t

12. 405165-61-9 (hcl)

13. Unii-7506a6j57t

14. Besifloxacin Hydrochloride (usan)

15. (+)-7-((3r)-3-aminohexahydro-1h-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride

16. (+)-7-[(3r)-3-aminohexahydro-1h-azepin-1-yl]-8-chloro-1- Cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride.

17. (r)-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride

18. 3-quinolinecarboxylic Acid, 7-((3r)-3-aminohexahydro-1h-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, Monohydrochloride

19. 7-[(3r)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic Acid;hydrochloride

20. Bol 303224a

21. Besivance (tn)

22. Besivance Hydrochloride

23. 7-[(3r)-3-aminohexahydro-1h-azepin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Hydrochloride

24. Schembl291598

25. Chembl1201761

26. Dtxsid20193529

27. Besifloxacin Hydrochloride- Bio-x

28. Amy18155

29. Ex-a1339

30. Mfcd14636632

31. S3055

32. Akos025401618

33. Besifloxacin Hydrochloride [mi]

34. Ccg-221259

35. Cs-0713

36. Ac-23367

37. Bb164241

38. Besifloxacin Hydrochloride [mart.]

39. Besifloxacin Hydrochloride [vandf]

40. Hy-17028

41. Besifloxacin Hydrochloride [who-dd]

42. Besifloxacin Hydrochloride [orange Book]

43. C75052

44. D08872

45. 165b619

46. A848253

47. J-519840

48. Q27266315

49. Besifloxacin Hydrochloride 100 Microg/ml In Acetonitrile:water

50. (r)-7-(3-aminohexahydro-1h-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Hydrochloride

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₂Cl₂FN₃O₃
Molecular Weight	430.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	429.1022251 g/mol
Monoisotopic Mass	429.1022251 g/mol
Topological Polar Surface Area	86.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	656
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

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.)