Identifikatoren & physikalische Daten
| CAS No. | 110871-86-8 |
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| Summenformel | C19H22F2N4O3 |
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| Durchschnittliche Molmasse | 392,4 g/mol |
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| Monoisotopische Masse | 392,165997 g/mol |
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| SMILES | C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1 |
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| InChIKey | DZZWHBIBMUVIIW-DTORHVGOSA-N |
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| PubChem CID | 60464 |
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| ChEMBL | CHEMBL850 |
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| ChEBI | CHEBI:9212 |
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| EC No. | 629-019-8 |
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| DTXSID | DTXSID9023590 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 98,9 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 9 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 28 |
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| Formalladung | 0 |
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| Komplexität | 691 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic usePharmaceuticals -> Antibiotics |
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| LogP (Verteilungskoeffizient) | 2.5 |
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| Löslichkeit | Practically insoluble1.13e-01 g/L |
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| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsQuinolonesFluoroquinolonesFDA approved drugs -> Active ingredient |
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| Physical Description | Solid |
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| Collision Cross Section | 190.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9023590]216.1 Ų [M+K]+ |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)SparfloxacinDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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