Levofloxacin

C₁₈H₂₀FN₃O₄CAS 100986-85-4361.37 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₈H₂₀FN₃O₄
Molar mass: 361.37 g/mol
Exact mass: 361.1438 Da
Melting point: 225–227 °C (decomposes)
pKa: 6.24 (carboxylic acid moiety), 8.12, 8.6
Water solubility: sparingly soluble
logP: 1.54Crippen estimate
Polar surface area: 75.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed98.3% of notifiers
H317 May cause an allergic skin reaction96% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.1% of notifiers
H361 Suspected of damaging fertility or the unborn child54.6% of notifiers
H362 May cause harm to breast-fed children53.4% of notifiers

Aggregated from 174 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P263, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

100986-85-4

SMILES

C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

InChIKey

GSDSWSVVBLHKDQ-JTQLQIEISA-N

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)/t10-/m0/s1

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Names and synonyms

22 names · show all

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (3S)-
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (S)-
(3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
(-)-Ofloxacin
(S)-Ofloxacin
DR 3355
(S)-(-)-Ofloxacin
HR 355
RWJ 25213-097
Tavanic
Levaquin
Cravit
Quixin
Oftaquix
Loxof
MP 376
Unibiotic
Venaxan
Levoflox
Lexoflon
Iquix
Quinsair

Work with Levofloxacin

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

Ofloxacin hydrochloride118120-51-795 % similar Levofloxacin hydrate138199-71-095 % similar Levofloxacin hydrochloride177325-13-295 % similar N-Desmethyl levofloxacin117707-40-182 % similar Marbofloxacin115550-35-172 % similar 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid82419-35-070 % similar Defluoro levofloxacin117620-85-670 % similar Pazufloxacin127045-41-463 % similar

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

Same formula

Ofloxacin82419-36-1

Elsewhere

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