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| CAS No.: | 91524-15-1 |
|---|---|
| Name: | Irloxacin |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C16H13 F N2 O3 |
| Molecular Weight: | 300.289 |
| Synonyms: | E 3432;Irloxacin; NSC 610496; Pirfloxacin |
| Density: | 1.36g/cm3 |
| Boiling Point: | 495.9°Cat760mmHg |
| Flash Point: | 253.7°C |
| Hazard Symbols: | Low toxicity by ingestion. |
| Safety: | Moderately toxic by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−. |
| PSA: | 64.23000 |
| LogP: | 2.64940 |
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- Total:5 Page 1 of 1 1
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Chemistry
IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
Empirical Formula: C16H13FN2O3
Molecular Weight: 300.2844g/mol
Structure of 6-Fluoro-7-(1-pyrrolyl)-1-ethyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (CAS NO.91524-15-1):
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Index of Refraction: 1.634
Molar Refractivity: 78.78 cm3
Molar Volume: 220.1 cm3
Polarizability: 31.23×10-24cm3
Surface Tension: 50.1 dyne/cm
Density: 1.36 g/cm3
Flash Point: 253.7 °C
Enthalpy of Vaporization: 80.41 kJ/mol
Boiling Point: 495.9 °C at 760 mmHg
Vapour Pressure: 1.18E-10 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C=CC=C3)F)C(=O)O
InChI: InChI=1S/C16H13FN2O3/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-5-3-4-6-19/h3-9H,2H2,1H3,(H,21,22)
InChIKey: RZLHGQLYNZQZQQ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 49 (1999),448. | ||
| 2. | ipr-rat LD50:>2 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 49 (1999),448. | ||
| 3. | orl-mus LDLo:5 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 49 (1999),448. | ||
| 4. | ipr-mus LDLo:2 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 49 (1999),448. |
Safety Profile
Moderately toxic by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−.
Specification
6-Fluoro-7-(1-pyrrolyl)-1-ethyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid , its cas register number is 91524-15-1. It also can be called 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1H-pyrrol-1-yl)-3-quinolinecarboxylic acid ; E 3432 ; Irloxacin ;
Irloxacine ; Irloxacino ; Irloxacinum ; NSC 610496 ; Pirfloxacin ; UNII-36SG77D21B .