Chemical Properties of nitrofurantoin

InChI

InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)

InChI Key

GSDSWSVVBLHKDQ-UHFFFAOYSA-N

Formula

C18H20FN3O4

SMILES

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

Molecular Weight¹

361.37

Other Names

• (S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
• levofloxacin
• ofloxacin

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to nitrofurantoin.

Mixtures

• Ethanol + nitrofurantoin
• 1-Propanol + nitrofurantoin
• 2-Propanol + nitrofurantoin
• 1-Butanol + nitrofurantoin
• Acetic acid + nitrofurantoin
• Ethyl Acetate + nitrofurantoin
• Glycine + Water + nitrofurantoin
• D-Alanine + Water + nitrofurantoin
• D-Valine + Water + nitrofurantoin
• Water + nitrofurantoin
• Carbon dioxide + nitrofurantoin
• 1-Octanol + nitrofurantoin
• Methylene chloride + nitrofurantoin
• Trichloromethane + nitrofurantoin
• Carbon Tetrachloride + nitrofurantoin

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Measurement and correlation for solubility of levofloxacin in six solvents at temperatures from 288.15 to 328.15 K
• Solubility of norfloxacin and ofloxacin in supercritical carbon dioxide
• Investigations on molecular interaction of some amino acids with the drug levofloxacin in aqueous solution by volumetric and acoustic methods at different temperatures
• Determination and Correlation for Solubilities of Ofloxacin, Norfloxacin, Lomefloxacin, Ciprofloxacin, Pefloxacin, and Pipemidic Acid in 1-Octanol from (293.15 to 333.15) K
• Aqueous Solubilities for Ofloxacin, Norfloxacin, Lomefloxacin, Ciprofloxacin, Pefloxacin, and Pipemidic Acid from (293.15 to 323.15) K
• Solubility of Ofloxacin in 1,2-Dichloromethane, Chloroform, Carbon Tetrachloride, and Water from (293.15 to 313.15) K
• Aqueous Solubility Prediction Method
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.