chempirical

Sarafloxacin

C20H17F2N3O3CAS 98105-99-8385.37 g/mol

Open in Covalent MOL file
OHONFNNHFO
Aryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C20H17F2N3O3
Molar mass
385.37 g/mol
Exact mass
385.1238 Da
Melting point
282–285 °C
logP
2.38Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
98105-99-8
SMILES
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChIKey
XBHBWNFJWIASRO-UHFFFAOYSA-N
InChI
InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
  • 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • A 56620
  • PD 121960

Work with Sarafloxacin

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

Sarafloxacin hydrochloride91296-87-695 % similar Difloxacin98106-17-379 % similar Norfloxacin70458-96-767 % similar Ciprofloxacin85721-33-167 % similar Norfloxacin hydrochloride104142-93-064 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-964 % similar Ciprofloxacin hydrochloride93107-08-564 % similar Ciprofloxacin hydrochloride monohydrate86393-32-061 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook