Flucloxacillin sodium

C19H16ClFN3NaO5SCAS 1847-24-1475.85 g/mol

Open in Covalent MOL file
ONFClOHNONSO−ONa+
AmideAryl halideCarboxylic acidLactamSulfide

Properties

Molecular formula
C19H16ClFN3NaO5S
Molar mass
475.85 g/mol
Exact mass
475.0381 Da
logP
-1.64Crippen estimate
Polar surface area
115.6 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
R, 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
1847-24-1
SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.[Na+]
InChIKey
OTEANHMVDHZOPB-SLINCCQESA-M
InChI
InChI=1S/C19H17ClFN3O5S.Na/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);/q;+1/p-1/t13-,14+,17-;/m1./s1

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Names and synonyms

14 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-, sodium salt (1:1), (2S,5R,6R)-
  • 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-, monosodium salt, [2S-(2α,5α,6β)]-
  • 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-, sodium salt
  • 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-, monosodium salt, (2S,5R,6R)-
  • Sodium flucloxacillin
  • Sodium [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]penicillin
  • Floxapen sodium
  • Flucloxacillin sodium salt
  • Floxacillin sodium
  • Monosodium flucloxacillin
  • Floxapen
  • NSC 277175
  • Staphylex
  • Fluclox

Work with Flucloxacillin sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Flucloxacillin5250-39-5Free acid

Similar compounds

Sodium dicloxacillin monohydrate13412-64-186 % similar Cloxacillin sodium642-78-479 % similar Sodium cloxacillin monohydrate7081-44-977 % similar Oxacillin sodium1173-88-276 % similar Sodium oxacillin monohydrate7240-38-273 % similar Dicloxacillin3116-76-569 % similar Cloxacillin61-72-361 % similar Methicillin sodium132-92-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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