chempirical

Sparfloxacin

C19H22F2N4O3CAS 110871-86-8392.41 g/mol

Open in Covalent MOL file
NFNH2OOOHNFHN
Aryl halideCarboxylic acidPrimary amineSecondary amineTertiary amine

Properties

Molecular formula
C19H22F2N4O3
Molar mass
392.41 g/mol
Exact mass
392.1660 Da
Melting point
266–269 °C (decomposes)
logP
2.08Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
110871-86-8
SMILES
C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
InChIKey
DZZWHBIBMUVIIW-DTORHVGONA-N
InChI
InChI=1/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

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Names and synonyms

13 names · show all
  • 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-, rel-
  • 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-, cis-
  • Rel-5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • AT 4140
  • CI 978
  • PD 131501
  • CP 103826
  • Zagam
  • Spara
  • PD 1315-1
  • Sparcin
  • Parox
  • Salocin 120

Work with Sparfloxacin

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

Orbifloxacin113617-63-384 % similar Grepafloxacin119914-60-252 % similar Gatifloxacin sesquihydrate180200-66-248 % similar Gatifloxacin112811-59-348 % similar Gatifloxacin160738-57-848 % similar 1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4as,7as)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid151213-15-948 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-046 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook