Metabolite Desmethyl-levofloxacin
- Name
- Desmethyl-levofloxacin
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 88ZBA45NC8
- CAS number
- Not Available
- Weight
- Average: 347.346
Monoisotopic: 347.128134235 - Chemical Formula
- C17H18FN3O4
- InChI Key
- WKRSSAPQZDHYRV-VIFPVBQESA-N
- InChI
- InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1
- IUPAC Name
- (2S)-7-fluoro-2-methyl-10-oxo-6-(piperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- SMILES
- [H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCNCC1
- Reactions
- Levofloxacin Desmethyl-levofloxacin
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 175.53407 predictedDeepCCS 1.0 (2019) [M+H]+ 177.89207 predictedDeepCCS 1.0 (2019) [M+Na]+ 184.45947 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 9134179
- ChEMBL
- CHEMBL1459
- ZINC
- ZINC000022056381
- Predicted Properties
Property Value Source Water Solubility 1.45 mg/mL ALOGPS logP -0.77 ALOGPS logP -1.3 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 5.38 Chemaxon pKa (Strongest Basic) 8.73 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.11 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.64 m3·mol-1 Chemaxon Polarizability 34.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon