1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid

C₁₈H₂₈FN₃O₈SCAS 149676-40-4465.49 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₈H₂₈FN₃O₈S
Molar mass: 465.49 g/mol
Exact mass: 465.1581 Da
logP: -0.53Crippen estimate
Polar surface area: 183.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3

Identifiers

CAS number

149676-40-4

SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.O.O

InChIKey

LEULAXMUNMRLPW-UHFFFAOYSA-N

InChI

InChI=1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2

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Names and synonyms

1 names

Pefloxacin mesylate dihydrate

Work with 1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pefloxacin mesylate70458-95-695 % similar Pefloxacin70458-92-381 % similar Norfloxacin70458-96-766 % similar Norfloxacin hydrochloride104142-93-063 % similar Difloxacin98106-17-358 % similar Norfloxacin nicotinate118803-81-955 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-954 % similar Danofloxacin mesylate119478-55-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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