chempirical

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. Search the SDS library

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

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

Elsewhere

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