1. Primary Information
| English name: | (-)-(S)-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, hemihydrate |
| CAS No.: | 138199-71-0 |
| Molecular formula: | C36H42F2N6O9 |
| Molecular weight: | 740.7 g/mol |
| SMILES: | CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O |
| Structural class: | |
| Other identifiers: |
Anhydrous, Levofloxacin Levaquin Levofloxacin Levofloxacin Anhydrous Ofloxacin, (S)-Isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 28 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 80 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 204 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 98% | 752 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 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;hydrate
4.2 InChI
InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
4.3 InChIKey
SUIQUYDRLGGZOL-RCWTXCDDSA-N
4.4 Canonical SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
4.5 Isomeric SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
