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Name |
Olamufloxacin |
EINECS | N/A |
CAS No. | 167887-97-0 | Density | 1.52 g/cm3 |
PSA | 114.58000 | LogP | 3.33830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H23FN4O3 | Boiling Point | 683.1 °C at 760 mmHg |
Molecular Weight | 386.426 | Flash Point | 366.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Quinolinecarboxylicacid, 5-amino-7-(7-amino-5-azaspiro[2.4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-,(S)-;Olamufloxacin; |
Article Data | 3 |
The Olamufloxacin, with CAS registry number 167887-97-0, has the systematic name of 5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. And its IUPAC name is the same one. And the chemical formula of this chemical is C20H23FN4O3. What's more, its classification code is Antibacterial.
Physical properties of Olamufloxacin: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 56.33 Å2; (7)Index of Refraction: 1.72; (8)Molar Refractivity: 99.92 cm3; (9)Molar Volume: 252.7 cm3; (10)Polarizability: 39.61×10-24cm3; (11)Surface Tension: 82.8 dyne/cm; (12)Enthalpy of Vaporization: 105.25 kJ/mol; (13)Vapour Pressure: 1.35E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C2=C\N(c1c(c(c(F)c(N)c1C2=O)N4C[C@@H](N)C3(CC3)C4)C)C5CC5
(2)InChI: InChI=1/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1
(3)InChIKey: LEILBPMISZFZQK-GFCCVEGCBZ
(4)Std. InChI: InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1
(5)Std. InChIKey: LEILBPMISZFZQK-GFCCVEGCSA-N