CAS number：1400591-39-0 molecular formula：C19H15F3N4O3
7-(3-氨基吡咯烷-1-基)-1-(2,4-二氟苯基)-6-氟-4-氧代-1,4-二氢-1,8-萘啶-3-甲酸是一种1,8-萘啶衍生物，是在4-氧代-1,4-二氢-1,8-萘啶-3-甲酸的1、6和7位分别具有2,4-二氟苯基、氟和3-氨基吡咯烷-1-基取代基的产物。它是一元羧酸、氨基酸、有机氟化合物、氨基吡咯烷、一级胺类化合物、三级胺类化合物、1,8-萘啶衍生物和喹诺酮类抗生素。它是1-[6-羧基-8-(2,4-二氟苯基)-3-氟-5-氧代-5,8-二氢-1,8-萘啶-2-基]吡咯烷-3-铵的共轭碱。
| Chinese alias | 妥舒沙星甲苯磺酸盐水合物 | 三氟沙星甲苯磺酸盐水合物 | 妥苏沙星甲苯磺酸盐水合物 | 托磺沙星甲苯磺酸盐水合物 | 托氟沙星甲苯磺酸盐水合物 | ||
| English alias | rac-tosufloxacin tosylate hydrate | BCP13549 | T-3262a | AKOS015914730 | Tosufloxacin Toluenesulfonate Hydrate | 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid hydrate | 7-(3-aminopyrrolidi | ||
| CAS number | 1400591-39-0 | molecular formula | C19H15F3N4O3 |
| molecular weight | 404.3 | Exact mass | ≥98%(HPLC) |
| PSA | 99.8 | logp | 0.4 |
| CAS | 1400591-39-0 |
| UNII | GHJ553KQPS |
| KEGG ID | D02317 |
| ChEBI ID | 77581 |
| Wikidata | Q3995932 |
| ChEMBL ID | CHEMBL273348 |
| Wikipedia | Tosufloxacin |
| AIDS Number | 007807 |
| DrugBank ID | DB16850 |
| DrugCentral | 2710 |
| PubChem CID | 5517 |
| Related CAS | 107097-79-0(MONOHYDRATE) |
| Deprecated CAS | 108138-46-1 |
| Nikkaji Number | J243.072J |
| NCI Thesaurus Code | C80642 |
| DSSTox Substance ID | DTXSID2044135 |
| Metabolomics Workbench ID | 144324 |
| PubChem Reference Collection SID | 500833898 |
| United States Adopted Name (USAN) | TOSUFLOXACIN |
| International Nonproprietary Names (INN) | TOSUFLOXACIN |
| XLogP3 | 0.4 |
| Complexity | 708 |
| Exact Mass | 404.10962484 |
| Formal Charge | 0 |
| Chemical Classes | Quinolones |
| Heavy Atom Count | 29 |
| Molecular Weight | 404.3 |
| Monoisotopic Mass | 404.10962484 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Topological Polar Surface Area | 99.8 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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