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Chemistry

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Also known as: 177325-13-2, Weilisu, Htn0d03vrz, Levofloxacin (hydrochloride), (2s)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride, (s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride

Molecular Formula

C₁₈H₂₁ClFN₃O₄

Molecular Weight

397.8 g/mol

InChI Key

CAOOISJXWZMLBN-PPHPATTJSA-N

FDA UNII

HTN0D03VRZ

1 2D Structure

Levofloxacin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H/t10-;/m0./s1

2.1.3 InChI Key

CAOOISJXWZMLBN-PPHPATTJSA-N

2.1.4 Canonical SMILES

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl

2.1.5 Isomeric SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl

2.2 Other Identifiers

2.2.1 UNII

HTN0D03VRZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 177325-13-2

2. Weilisu

3. Htn0d03vrz

4. Levofloxacin (hydrochloride)

5. (2s)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic Acid;hydrochloride

6. (s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid Hydrochloride

7. 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic Acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, Monohydrochloride, (s)-

8. 7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, Hydrochloride (1:1), (3s)-

9. Unii-htn0d03vrz

10. Levofloxacin Hcl

11. Levofloxacinhydrochloride

12. 138199-71-0

13. Schembl554426

14. Levofloxacin Hydrochloride,(s)

15. S-(-)-ofloxacin Hydrochloride

16. Chembl2237108

17. Hy-b0330b

18. Dtxsid80432709

19. Amy22188

20. Bcp24629

21. Levofloxacin Hydrochloride Impurity A

22. Mfcd03265511

23. Akos007930523

24. Akos015896241

25. Ac-7617

26. 2254176-11-7

27. As-16117

28. Levofloxacin Hydrochloride [who-dd]

29. Cs-0014296

30. D78064

31. 325l132

32. J-011269

33. Q27280093

34. (3s)-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid,9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-,hcl

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₁ClFN₃O₄
Molecular Weight	397.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	397.1204620 g/mol
Monoisotopic Mass	397.1204620 g/mol
Topological Polar Surface Area	73.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	634
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