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2D Structure
Also known as: 352458-37-8, Delafloxacin (meglumine), Rx-3341 meglumine, Wq-3034 meglumine, Delafloxacin meglumine [usan], N7v53u4u4t
Molecular Formula
C25H29ClF3N5O9
Molecular Weight
636.0  g/mol
InChI Key
AHJGUEMIZPMAMR-WZTVWXICSA-N
FDA UNII
N7V53U4U4T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
2.1.2 InChI
InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
2.1.3 InChI Key
AHJGUEMIZPMAMR-WZTVWXICSA-N
2.1.4 Canonical SMILES
CNCC(C(C(C(CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
2.1.5 Isomeric SMILES
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
2.2 Other Identifiers
2.2.1 UNII
N7V53U4U4T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 352458-37-8

2. Delafloxacin (meglumine)

3. Rx-3341 Meglumine

4. Wq-3034 Meglumine

5. Delafloxacin Meglumine [usan]

6. N7v53u4u4t

7. Abt-492 Meglumine

8. Unii-n7v53u4u4t

9. 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

10. Delafloxacin Meglumine (usan)

11. 1-deoxy-1-(methylamino)-d-glucitol 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (salt)

12. D-glucitol, 1-deoxy-1-(methylamino)-, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylate (salt)

13. Baxdela (tn)

14. Abt492 Meglumine

15. Schembl300983

16. Chembl2105638

17. Dtxsid90188740

18. Delafloxacin Meglumine [mi]

19. (2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-(methylamino)hexyl 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquin

20. Ex-a3992

21. Hy-14814a

22. S4488

23. Wq-3034 And Abt-492

24. Akos025404885

25. Cs-1479

26. Delafloxacin Meglumine [who-dd]

27. Ac-36496

28. Bs-16614

29. Delafloxacin Meglumine [orange Book]

30. Abt-492;rx-3341;wq-3034;baxdela

31. D09331

32. D70784

33. A874684

34. Q27284685

35. Delafloxacin Meglumine (abt492 Meglumine; Rx-3341 Meglumine; Wq-3034 Meglumine)

36. (2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentaol 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 636.0 g/mol
Molecular Formula C25H29ClF3N5O9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass635.1605897 g/mol
Monoisotopic Mass635.1605897 g/mol
Topological Polar Surface Area233 Ų
Heavy Atom Count43
Formal Charge0
Complexity889
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameBAXDELA
Active IngredientDELAFLOXACIN MEGLUMINE
CompanyMELINTA THERAPS INC (Application Number: N208610); MELINTA THERAPS INC (Application Number: N208611)

5 Pharmacology and Biochemistry
5.1 FDA Pharmacological Classification
5.1.1 Pharmacological Classes
Fluoroquinolones [CS]; Fluoroquinolone Antibacterial [EPC]