Lomefloxacin aspartate

C21H26F2N4O7CAS 211690-33-4484.46 g/mol

Open in Covalent MOL file
NOFNHNFOOHOOHNH2OHO
Aryl halideCarboxylic acidPrimary amineSecondary amineTertiary amine

Properties

Molecular formula
C21H26F2N4O7
Molar mass
484.46 g/mol
Exact mass
484.1770 Da
logP
0.67Crippen estimate
Polar surface area
175.2 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
6
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
211690-33-4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O
InChIKey
YCOJCBAVYZZKRS-WNQIDUERSA-N
InChI
InChI=1S/C17H19F2N3O3.C4H7NO4/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;5-2(4(8)9)1-3(6)7/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1

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Names and synonyms

1 names
  • Lomefloxacin, aspartate

Work with Lomefloxacin aspartate

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.

Aspartic acid56-84-8Parent compound Polyaspartic acid25608-40-6Parent compound L-Aspartic acid6899-03-2Parent compound (+-)-Aspartic acid617-45-8Parent compound, stereo not defined D-Aspartic acid1783-96-6Parent compound, enantiomer Lomefloxacin98079-51-7Parent compound Zinc L-aspartate36393-20-1Salt Potassium magnesium hydrogen DL-aspartate8076-65-1Salt, stereo not defined Lomefloxacin hydrochloride98079-52-8Salt Monopotassium aspartate1115-63-5Salt Ornithine aspartate3230-94-2Salt Arginine aspartate7675-83-4Salt

Similar compounds

Gatifloxacin112811-59-354 % similar Gatifloxacin160738-57-854 % similar Gatifloxacin sesquihydrate180200-66-252 % similar Gatifloxacin mesylate316819-28-049 % similar Fleroxacin79660-72-347 % similar Norfloxacin70458-96-746 % similar Enoxacin74011-58-845 % similar Norfloxacin hydrochloride104142-93-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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