Identifikatoren & physikalische Daten
| CAS No. | 74011-58-8 |
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| Summenformel | C15H17FN4O3 |
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| Durchschnittliche Molmasse | 320,32 g/mol |
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| Monoisotopische Masse | 320,12846862 g/mol |
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| SMILES | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 |
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| InChIKey | IDYZIJYBMGIQMJ-UHFFFAOYSA-N |
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| PubChem CID | 3229 |
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| ChEMBL | CHEMBL826 |
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| ChEBI | CHEBI:157175 |
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| EC No. | 961-175-5 |
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| DTXSID | DTXSID5022984 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
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| Polarare Oberfläche (TPSA) | 85,8 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 521 |
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| Arzneimittel | Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use |
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| LogP (Verteilungskoeffizient) | 2.3 |
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| Löslichkeit | 1.09e+00 g/L |
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| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsQuinolonesFluoroquinolonesFDA approved drugs -> Active ingredient |
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| Schmelzpunkt | 220-224 °C220 - 224 °C |
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| Physical Description | Solid |
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| Collision Cross Section | 184.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]185 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with Waters Major Mix] |
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Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
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| Hazard Classes and Categories | Not Classified |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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