chempirical

Levofloxacin hydrate

C18H22FN3O5CAS 138199-71-0379.39 g/mol

Open in Covalent MOL file
ONNFOOOHNH2O
Aryl halideCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C18H22FN3O5
Molar mass
379.39 g/mol
Exact mass
379.1543 Da
logP
0.72Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
138199-71-0
SMILES
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.O
InChIKey
QEHPHWRZQAZOTI-PPHPATTJSA-N
InChI
InChI=1S/C18H20FN3O4.H2O/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);1H2/t10-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 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-, hydrate (2:1), (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-, hydrate (2:1), (S)-
  • Levofloxacin hemihydrate
  • Dynaquin
  • Leeflox

Work with Levofloxacin hydrate

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

Levofloxacin100986-85-495 % similar Ofloxacin82419-36-195 % similar Ofloxacin hydrochloride118120-51-791 % similar Levofloxacin hydrochloride177325-13-291 % similar N-Desmethyl levofloxacin117707-40-178 % similar Marbofloxacin115550-35-169 % similar Levofloxacin Q-acid100986-89-867 % similar 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid82419-35-067 % similar

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

Elsewhere

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