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Clinafloxacin
CI-960 · PD-127391 · Aids007759 · Aids-007759 · Clinfloxacin · CLINAFLOXACIN · Colinflosaxin · Clinofloxacin
Identifikatoren & physikalische Daten
| CAS No. | 105956-97-6 |
|---|---|
| Summenformel | C17H17ClFN3O3 |
| Durchschnittliche Molmasse | 365,8 g/mol |
| Monoisotopische Masse | 365,0942473 g/mol |
| SMILES | NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 |
| InChIKey | QGPKADBNRMWEQR-UHFFFAOYSA-N |
| PubChem CID | 60063 |
| ChEMBL | CHEMBL278255 |
| ChEBI | CHEBI:94459 |
| EC No. | 802-484-6 |
| DTXSID | DTXSID80869455 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 626 |
| Löslichkeit | >54.9 [ug/mL] (The mean of the results at pH 7.4)Acetic Acid (Slightly), DMSO (Slightly) |
| Schmelzpunkt | 253-258 C |
| Siedepunkt | 592.3±50.0 °C(Predicted) |
| Dichte | 1.573±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.39±0.50(Predicted) |
| Farbe | Pale Beige |
| 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) |
| InChIKey | QGPKADBNRMWEQR-UHFFFAOYSA-N |
| SMILES | N1(C2CC2)C2=C(C=C(F)C(N3CCC(N)C3)=C2Cl)C(=O)C(C(O)=O)=C1 |
| CAS Datenbank | 105956-97-6(CAS DataBase Reference) |
| EPA chemische Informationen | Clinafloxacin (105956-97-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Repr. 2 (100%) |
| RTECS-Nr. | VB1800600 |
| R-Sätze (R) | 36/37/38-63 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37 |
Anwendungen & Verwendung
Verwenden
Clinafloxacin is a fluoroquinolone that inhibits both DNA gyrase and topoisomerase IV.