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CAS No.: | 172426-86-7 |
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Name: | Despropylene Gatifloxacin |
Molecular Structure: | |
Formula: | C16H18FN3O4 |
Molecular Weight: | 335.33 |
Synonyms: | 7-[(2-Aminoethyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo- 3-quinolinecarboxylic Acid; |
Density: | 1.509 g/cm3 |
Melting Point: | 198-200?C |
Boiling Point: | 556.7 °C at 760 mmHg |
Flash Point: | 290.5 °C |
PSA: | 106.58000 |
LogP: | 2.32620 |
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This chemical is called Despropylene Gatifloxacin, and its systematic name is 7-[(2-Aminoethyl)amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. With the molecular formula of C16H18FN3O4, its molecular weight is 335.33. The CAS registry number of the chemical is 172426-86-7. Additionally, its product categories are Heterocycles; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals.
Other characteristics of Despropylene Gatifloxacin can be summarised as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 104.89 Å2; (11)Index of Refraction: 1.682; (12)Molar Refractivity: 84.15 cm3; (13)Molar Volume: 222 cm3; (14)Polarizability: 33.36×10-24cm3; (15)Surface Tension: 78.5 dyne/cm; (16)Density: 1.509 g/cm3; (17)Flash Point: 290.5 °C; (18)Enthalpy of Vaporization: 88.21 kJ/mol; (19)Boiling Point: 556.7 °C at 760 mmHg; (20)Vapour Pressure: 3.14E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)C/2=C/N(c1c(OC)c(NCCN)c(F)cc1C\2=O)C3CC3
2.InChI: InChI=1/C16H18FN3O4/c1-24-15-12(19-5-4-18)11(17)6-9-13(15)20(8-2-3-8)7-10(14(9)21)16(22)23/h6-8,19H,2-5,18H2,1H3,(H,22,23)
3.InChIKey: VRWBCRPZUUYZMQ-UHFFFAOYAC
4.Std. InChI: InChI=1S/C16H18FN3O4/c1-24-15-12(19-5-4-18)11(17)6-9-13(15)20(8-2-3-8)7-10(14(9)21)16(22)23/h6-8,19H,2-5,18H2,1H3,(H,22,23)
5.Std. InChIKey: VRWBCRPZUUYZMQ-UHFFFAOYSA-N