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Molecule
Levofloxacin
CAS: 100986-85-4 · C18H20FN3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100986-85-4
- Molecular Formula
- C18H20FN3O4
- Molecular Mass
- 361.37 g/mol
Identifiers
CAS Registry Number
100986-85-4
SMILES
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChI Key
GSDSWSVVBLHKDQ-JTQLQIEISA-N
InChI
InChI=1S/C18H20FN3O4/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)/t10-/m0/s1
Names and Synonyms
- Levofloxacin Common Name
- 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-, (3S)- Synonym
- 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-, (S)- Synonym
- (3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid Synonym
- (-)-Ofloxacin Synonym
- (S)-Ofloxacin Synonym
- DR 3355 Synonym
- (S)-(-)-Ofloxacin Synonym
- Levofloxacin Synonym
- HR 355 Synonym
- RWJ 25213-097 Synonym
- Tavanic Synonym
- Levaquin Synonym
- Cravit Synonym
- Quixin Synonym
- Oftaquix Synonym
- Loxof Synonym
- MP 376 Synonym
- Unibiotic Synonym
- Venaxan Synonym
- Levoflox Synonym
- Lexoflon Synonym
- Iquix Synonym
- Quinsair Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.37 g/mol | CAS Common Chemistry |
| 361.37300000000005 g/mol | RDKit | |
| 361.373 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CN2C3=C(OCC2C)C(=C(F)C=C3C1=O)N4CCN(C)CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C18H20FN3O4/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)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GSDSWSVVBLHKDQ-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 225-227 °C (decomp) | CAS Common Chemistry |
| Name | Levofloxacin | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 5 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.00999999999999 Ų | RDKit |
| 75.01 Ų | RDKit | |
| 81.62 Ų | chempirical lib | |
| LogP | 1.5439999999999998 | RDKit |
| 1.544 | RDKit | |
| Molar Refractivity | 95.04130000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 361.14378433999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 361.37 g/mol. Edit any field — others recompute live.
