Clinafloxacin CAS#: 105956-97-6; 凯望编码 (ChemWhat Code): 125699
Identification
| 英文名 | Clinafloxacin |
| IUPAC Name | 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid |
| 分子结构 |  |
| CAS编号 | 105956-97-6 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| 别名 | clinafloxacinclinfloxacinPD1273917-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid |
| 分子式 | C17H17ClFN3O3 |
| 分子量 | 365.789 |
| InChI | InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25) |
| InChI Key | QGPKADBNRMWEQR-UHFFFAOYSA-N |
| Canonical SMILES | NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2022/46642 | COMPOUNDS AND COMPOSITIONS FOR DISRUPTING PROGRAMMED RIBOSOMAL FRAMESHIFTING | 2022 |
| CN114702443 | Preparation method of quinolone compounds and intermediates thereof | 2022 |
Physical Data
| Appearance | Off-white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 254 – 256 |
| 241 – 242 |
| 241 – 245 |
| 235 – 240 |
Spectra
| Description (Mass Spectrometry) |
| liquid chromatography mass spectrometry (LCMS), tandem mass spectrometry, spectrum |
| Description (UV/VIS Spectroscopy) |
| Spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: clinafloxacin With sodium hydrogencarbonate In ethanol at 60℃; for 2h; Stage #2: 4-(2-bromoethoxy)-2H-chromen-2-one In ethanol Reflux; | 96% |
| Stage #1: clinafloxacin With sodium hydrogencarbonate In ethanol Stage #2: 4-(2-bromoethoxy)-2H-chromen-2-one In ethanol Reflux; | 96.4% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P203, P280, P318, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | |
| NONH for all modes of transport | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 365.792 |
| logP | 3.119 |
| HBA | 6 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 86.87 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Pharmaceuticals |
| preparation of drugs for the treatment of bacterial skin infections in combination with indocyanine green |
| anti-microbial compound reducing or ameliorating microbial infection |
| Part of dermatological complex |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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