Tosufloxacin tosylate monohydrateProduct ingredient for Tosufloxacin
- Name
- Tosufloxacin tosylate monohydrate
- Drug Entry
- Tosufloxacin
- Accession Number
- DBSALT003221
- Structure
Structure for Tosufloxacin tosylate monohydrate (DBSALT003221)
- Synonyms
- Tosufloxacin tosilate hydrate / Tosufloxacin tosilate monohydrate / Tosufloxacin tosylate H2O / Tosufloxacin tosylate hydrate
- UNII
- 5L69LG8ZDQ
- CAS Number
- 1400591-39-0
- Weight
- Average: 594.56
Monoisotopic: 594.139604824 - Chemical Formula
- C26H25F3N4O7S
- InChI Key
- SSULTCPIIYRGFQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2
- IUPAC Name
- 4-methylbenzene-1-sulfonic acid 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid hydrate
- SMILES
- O.CC1=CC=C(C=C1)S(O)(=O)=O.NC1CCN(C1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0762 mg/mL ALOGPS logP 0.4 ALOGPS logP 0.47 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 5.22 Chemaxon pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 98.35 m3·mol-1 Chemaxon Polarizability 37.1 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon