N-Desmethyl levofloxacin

C17H18FN3O4CAS 117707-40-1347.35 g/mol

Open in Covalent MOL file
ONONNHFOHO
Aryl halideCarboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C17H18FN3O4
Molar mass
347.35 g/mol
Exact mass
347.1281 Da
logP
1.20Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
117707-40-1
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
InChIKey
WKRSSAPQZDHYRV-VIFPVBQESA-N
InChI
InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1

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Names and synonyms

1 names
  • Desmethyl levofloxacin

Work with N-Desmethyl 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

Levofloxacin100986-85-482 % similar Ofloxacin82419-36-182 % similar Ofloxacin hydrochloride118120-51-778 % similar Levofloxacin hydrate138199-71-078 % similar Levofloxacin hydrochloride177325-13-278 % similar Levofloxacin mesylate226578-51-472 % similar Levofloxacin Q-acid100986-89-870 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-070 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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