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Name |
Orbifloxacin |
EINECS | N/A |
CAS No. | 113617-63-3 | Density | 1.437 g/cm3 |
PSA | 74.57000 | LogP | 3.03230 |
Solubility | N/A | Melting Point |
259-260° |
Formula | C19H20F3N3O3 | Boiling Point | 590.736 °C at 760 mmHg |
Molecular Weight | 395.381 | Flash Point | 311.066 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Quinolinecarboxylicacid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-,cis-;CP 104354;Orbifloxacin;? Orbifloxacin; |
Article Data | 13 |
The Orbifloxacin with the CAS number 113617-63-3 is also called 3-Quinolinecarboxylicacid,1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-,rel-. The IUPAC name is 1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,
8-trifluoro-4-oxoquinoline-3-carboxylic acid. Its molecular formula is C19H20F3N3O3.
The properties of the chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.99; (8)ACD/KOC (pH 7.4): 8.26; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.09 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 92.66 cm3; (15)Molar Volume: 275.1 cm3; (16)Polarizability: 36.73×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Enthalpy of Vaporization: 92.69 kJ/mol; (19)Vapour Pressure: 8.43×10-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c2c(c1F)C(=O)C(\C(=O)O)=C/N2C3CC3)N4C[C@@H](N[C@@H](C4)C)C
(2)InChI: InChI=1/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
(3)InChIKey: QIPQASLPWJVQMH-DTORHVGOBR