Fleroxacin

C₁₇H₁₈F₃N₃O₃CAS 79660-72-3369.34 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₇H₁₈F₃N₃O₃
Molar mass: 369.34 g/mol
Exact mass: 369.1300 Da
Melting point: 270 °C (decomposes)
pKa: 5.5, 8.2, 8.8
logP: 1.70Crippen estimate
Polar surface area: 65.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H371 May cause damage to organs100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P308+P316, P405, P501

Identifiers

CAS number

79660-72-3

SMILES

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1

InChIKey

XBJBPGROQZJDOJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)

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Names and synonyms

9 names

3-Quinolinecarboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
6,8-Difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
Ro 23-6240
AM 833
Megalocin
Flerofloxacin
Quinodis
Ro 23-6240/000
Megalone

Work with Fleroxacin

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

Rufloxacin hydrochloride106017-08-767 % similar Marbofloxacin115550-35-160 % similar Levofloxacin100986-85-458 % similar Ofloxacin82419-36-158 % similar Pefloxacin70458-92-357 % similar Lomefloxacin98079-51-756 % similar Ofloxacin hydrochloride118120-51-755 % similar Levofloxacin hydrate138199-71-055 % similar

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

Same formula

4-(3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile154992-24-2

Elsewhere

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