1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate
Grundinformationen
- CAS
112398-08-0- Standard-SMILES
C[NH+]1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1- InChIKey
QMLVECGLEOSESV-RYUDHWBXSA-N- Summenformel
- C19H20FN3O3
- Durchschnittliche Molmasse
- 357,4 g/mol
- Monoisotopische Masse
- 357,14886967
Überblick
Danofloxacin is an antibiotic agent from the family of the fluoroquinolones used in veterinary medicine.
Namen und Bezeichner
- Bevorzugter Name
- 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate
- IUPAC
- 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate
- Englischer Name
- DANOFLOXACIN
- Summenformel
- C19H20FN3O3
- Molmasse
- 357.38
Namen und Synonyme
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylateDanofloxacineadvocinADVOCIN(R)DafloxacinDANOFLOXACINDanofloxacinoDANOFLOXACIN BASEDANOFLOXACIN, 98.5%Danofloxacin,AdvocinDanofloxacin, Vetranal
Datenbank-Bezeichner
- CAS
112398-08-0- PubChem CID
- 25273623
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 68,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 673
Physikochemische Eigenschaften
- Schmelzpunkt
- 268 · 268-272 C
- Siedepunkt
- 569.3 · 569.3±50.0 °C(Predicted)
- Dichte
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Aqueous Base (Slightly), Chloroform (Very Slightly, Heated), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 6.43 · 6.43±0.41(Predicted)
- Farbe
- Off-White to Pale Yellow
- Wasserlöslichkeit
- Soluble in water, acetic acid and DMSO
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
- InChIKey
- QMLVECGLEOSESV-RYUDHWBXSA-N
- SMILES
- CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-37/39-36-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 3STOT RE 2
Chemie und Industrie
Anwendungen
VerwendenDanofloxacin is used in veterinary medicine. It is antibacterial and antimycoplasmal drug.
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