Orbifloxacin

C19H20F3N3O3CAS 113617-63-3395.38 g/mol

Open in Covalent MOL file
NFFOOOHNFHN
Aryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C19H20F3N3O3
Molar mass
395.38 g/mol
Exact mass
395.1457 Da
Melting point
257–258 °C (decomposes)
logP
2.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
R, 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
113617-63-3
SMILES
C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
InChIKey
QIPQASLPWJVQMH-DTORHVGONA-N
InChI
InChI=1/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+

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Names and synonyms

5 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-, cis-
  • Rel-1-Cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • CP 104354
  • Orbax

Work with Orbifloxacin

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

Sparfloxacin110871-86-884 % similar Grepafloxacin119914-60-255 % similar 7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid151213-15-951 % similar Gatifloxacin112811-59-351 % similar Gatifloxacin160738-57-851 % similar 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid94695-52-049 % similar Gatifloxacin sesquihydrate180200-66-249 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Morniflumate65847-85-0

Elsewhere

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