Basic information
- Name:
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
- Molecular Structure:
![Molecular Structure of 112398-08-0 (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-)](http://www.lookchem.com/300w/2010/0617/112398-08-0.jpg)
- Formula:
- C19H20 F N3 O3
- Molecular Weight:
- 357.38
- 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
- Boiling Point:
- 569.3°Cat760mmHg
- Flash Point:
- 298.1°C
- Safety Description:
DetailsSafety Statements 22-24/25
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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.
