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CAS No.: | 118803-81-9 |
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Name: | QUINOLINE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C22H23FN4O5 |
Molecular Weight: | 442.44 |
Synonyms: | 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; pyridine-3-carboxylic acid;3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate; |
EINECS: | 229-337-3 |
Melting Point: | 277-280 °C(lit.) |
Boiling Point: | 555.8 °C at 760 mmHg |
Flash Point: | 289.9 °C |
Safety: | 22-24/25 |
PSA: | 124.76000 |
LogP: | 2.44190 |
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Empirical Formula of Norfloxacin nicotinate (CAS NO.118803-81-9): C22H23FN4O5
Molecular Weight: 442.4402
Flash Point: 289.9 °C
Enthalpy of Vaporization: 88.09 kJ/mol
Boiling Point: 555.8 °C at 760 mmHg
Vapour Pressure: 3.45E-13 mmHg at 25 °C
Structure of Norfloxacin nicotinate (CAS NO.118803-81-9):
IUPAC Name: 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;pyridine-3-carboxylic acid
Canonical SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C1=CC(=CN=C1)C(=O)O
InChI: InChI=1S/C16H18FN3O3.C6H5NO2/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;8-6(9)5-2-1-3-7-4-5/h7-9,18H,2-6H2,1H3,(H,22,23);1-4H,(H,8,9)
InChIKey: WRIFLTAYLRDENF-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
chicken | LD50 | oral | > 10gm/kg (10000mg/kg) | United States Patent Document. Vol. #4792552, | |
mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | United States Patent Document. Vol. #4792552, |
Norfloxacin nicotinate (CAS NO.118803-81-9) also can be called 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate ; and 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate .