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2D Structure
Also known as: Garenoxacin mesylate, 223652-82-2, Bms 284756, Bms-284756, 437zku48cf, Garenoxacin methanesulfonate
Molecular Formula
C24H24F2N2O7S
Molecular Weight
522.5  g/mol
InChI Key
UPHLDCUEQOTSAD-RFVHGSKJSA-N
FDA UNII
437ZKU48CF

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
2.1.2 InChI
InChI=1S/C23H20F2N2O4.CH4O3S/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4)/t11-;/m1./s1
2.1.3 InChI Key
UPHLDCUEQOTSAD-RFVHGSKJSA-N
2.1.4 Canonical SMILES
CC1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O
2.1.5 Isomeric SMILES
C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
437ZKU48CF
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bms 284756

2. Bms-284756

3. Bms284756

4. Garenoxacin

2.3.2 Depositor-Supplied Synonyms

1. Garenoxacin Mesylate

2. 223652-82-2

3. Bms 284756

4. Bms-284756

5. 437zku48cf

6. Garenoxacin Methanesulfonate

7. Garenoxacin Mesylate Anhydrous

8. Unii-437zku48cf

9. Bms 284756-01

10. Schembl1649428

11. Dtxsid4058732

12. Bcp17552

13. T 3811me

14. Garenoxacin Mesilate [mart.]

15. Garenoxacin Mesilate [who-dd]

16. Garenoxacin Mesylate / Methanesulfonate

17. Garenoxacin Methanesulfonate [mi]

18. (+)-garenoxacin Mesylate Anhydrous

19. 652g902

20. Q27258626

21. (r)-1-cyclo-propyl-8-difluoromethoxy-7-(1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Methanesulfonate

22. (r)-1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Methanesulfonate

23. (r)-1-cyclopropyl-8-difluoromethoxy-7-(1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Methanesulfonate

24. 1-cyclopropyl-8-(difluoromethoxy)-7-((1r)-1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Mesylate

25. 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Methanesulfonate Monohydrate

26. 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methyl-2,3-dihydro-1h-isoindol-5-yl]-4-oxoquinoline-3-carboxylic Acid;methanesulfonic Acid

27. 3-quinolinecarboxylic Acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1r)-2,3-dihydro-1-methyl-1h-isoindol-5-yl)-1,4-dihydro-4-oxo-, Monomethanesulfonate

28. 3-quinolinecarboxylic Acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1r)-2,3-dihydro-1-methyl-1h-isoindol-5-yl)-1,4-dihydro-4-oxo-, Methanesulfonate (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 522.5 g/mol
Molecular Formula C24H24F2N2O7S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass522.12722861 g/mol
Monoisotopic Mass522.12722861 g/mol
Topological Polar Surface Area142 Ų
Heavy Atom Count36
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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.)


Anti-Bacterial Agents

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