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Chemistry

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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

Delafloxacin Meglumine
1 2D Structure

Delafloxacin Meglumine

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]

Listed Suppliers

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BioFlorida Conference
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Delafloxacin Meglumine

About the Company : Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine c...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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BioFlorida Conference
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BioFlorida Conference
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Delafloxacin Meglumine

About the Company : Beijing Sjar Technology Development Co., Ltd. founded in 2014, it is a high-tech enterprise which specialized in the research and development of active pharmaceutical ingredients a...

Beijing Sjar Technology Development Co., Ltd. founded in 2014, it is a high-tech enterprise which specialized in the research and development of active pharmaceutical ingredients and their intermediates, electronic chemical materials and intermediates, large-scale production, sales and services, and provide customized synthetic services according to customer requirements. Sjar-Tech locates in Beijing Economic and Technological Development Zone, has its own R&D and development laboratory. Sjar-Tech has set up a R&D team with rich experience and strong technical strength, most of the practitioners have more than ten years' experience.
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BioFlorida Conference
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BioFlorida Conference
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Delafloxacin Meglumine

About the Company : Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kim...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.
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11-May-2023
11-May-2023
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