chempirical

Flucloxacillin

C19H17ClFN3O5SCAS 5250-39-5453.87 g/mol

Open in Covalent MOL file
ONFClONHONSOHO
AmideAryl halideCarboxylic acidLactamSulfide

Properties

Molecular formula
C19H17ClFN3O5S
Molar mass
453.87 g/mol
Exact mass
453.0561 Da
logP
3.26Crippen estimate
Polar surface area
116.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
5250-39-5
SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
InChIKey
UIOFUWFRIANQPC-JKIFEVAISA-N
InChI
InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
  • (2S,5R,6R)-6-[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • [3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]penicillin
  • Floxacillin
  • BRL 2039
  • 6-[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]penicillanic acid
  • Culpen
  • FK 900
  • Fluoxacillin
  • Staphlipen
  • Penplus
  • Abboflox
  • Flupen

Work with Flucloxacillin

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

Dicloxacillin3116-76-589 % similar Cloxacillin61-72-379 % similar Cloxacillin benzathine23736-58-568 % similar Flucloxacillin sodium1847-24-158 % similar 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid3919-74-250 % similar Sodium dicloxacillin monohydrate13412-64-148 % similar 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride69399-79-747 % similar Carbenicillin4697-36-346 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook