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| CAS No.: | 112398-08-0 | ||
|---|---|---|---|
| Name: | DANOFLOXACIN | ||
| Molecular Structure: | |||
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| Formula: | C19H20 F N3 O3 | ||
| Molecular Weight: | 357.385 | ||
| Synonyms: | 3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-,(1S)-; 2,5-Diazabicyclo[2.2.1]heptane, 3-quinolinecarboxylic acid deriv.;1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinolinecarboxylicacid; Advocin; Danofloxacin | ||
| Density: | 1.485g/cm3 | ||
| Melting Point: | 268-272oC | ||
| Boiling Point: | 569.3°Cat760mmHg | ||
| Flash Point: | 298.1°C | ||
| Solubility: | Soluble in water, acetic acid and DMSO | ||
| Hazard Symbols: | Xn,Xi | ||
| Risk Codes: | 20/21/22-36/37/38 | ||
| Safety: |
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| PSA: | 65.78000 | ||
| LogP: | 2.06930 | ||
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Chemistry
IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid
Empirical Formula: C19H20FN3O3
Molecular Weight: 357.3788g/mol
Structure of 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo- (CAS NO.112398-08-0):
Index of Refraction: 1.679
Molar Refractivity: 90.84 cm3
Molar Volume: 240.5 cm3
Polarizability: 36.01×10-24cm3
Surface Tension: 69.4 dyne/cm
Density: 1.485 g/cm3
Flash Point: 298.1 °C
Enthalpy of Vaporization: 89.87 kJ/mol
Boiling Point: 569.3 °C at 760 mmHg
Vapour Pressure: 8.41E-14 mmHg at 25°C
SMILES: O=C(O)\C4=C\N(c3cc(N1C[C@H]2N(C)C[C@@H]1C2)c(F)cc3C4=O)C5CC5
InChI: InChI=1/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-RYUDHWBXBV
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-36-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Specification
3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo- , its cas register number is 112398-08-0. It also can be called Danofloxacin ; Danofloxacine ; Danofloxacino ;
Danofloxacinum ; UNII-24CU1YS91D . 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo- (CAS NO.112398-08-0) is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin.