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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ofloxacin82419-36-1Anhydrous, stereo not defined Levofloxacin100986-85-4Anhydrous Levofloxacin hydrochloride177325-13-2Salt Ofloxacin hydrochloride118120-51-7Salt, stereo not defined Levofloxacin mesylate226578-51-4Salt

Similar compounds

N-Desmethyl levofloxacin117707-40-178 % similar Marbofloxacin115550-35-169 % similar Levofloxacin Q-acid100986-89-867 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-067 % similar Defluoro levofloxacin117620-85-667 % similar Pazufloxacin127045-41-461 % similar Nadifloxacin124858-35-156 % similar Fleroxacin79660-72-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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