chempirical

Cloxacillin sodium

C19H17ClN3NaO5SCAS 642-78-4457.86 g/mol

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

Properties

Molecular formula
C19H17ClN3NaO5S
Molar mass
457.86 g/mol
Exact mass
457.0475 Da
logP
2.74Crippen 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
642-78-4
SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.[Na+]
InChIKey
JBJAWVZHLGPBJA-SLINCCQESA-N
InChI
InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/t13-,14+,17-;/m1./s1

Weigh it out

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

Names and synonyms

27 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-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-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-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-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • BRL 1621 sodium salt
  • Orbenin sodium
  • Sodium cloxacillin
  • Sodium orbenin
  • Tegopen
  • Sodium 3-(O-chlorophenyl)-5-methyl-4-isoxazolylpenicillin
  • Orbenin
  • 3-(o-Chlorophenyl)-5-methyl-4-isoxazolylpenicillin sodium salt
  • Sodium syntarpen
  • Cloxacillin sodium salt
  • Ankerbin
  • Austrastaph
  • Prevencilina P
  • Prostaphilin A
  • Prostaphlin A
  • Cloxapen
  • Ekvacillin
  • Staphybiotic
  • Gelstaph
  • Monosodium cloxacillin
  • Syntarpen sodium salt
  • Klox
  • Neoclox

Work with Cloxacillin 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

Similar compounds

Sodium cloxacillin monohydrate7081-44-996 % similar Sodium dicloxacillin monohydrate13412-64-183 % similar Oxacillin sodium1173-88-281 % similar Flucloxacillin sodium1847-24-179 % similar Sodium oxacillin monohydrate7240-38-277 % similar Methicillin sodium132-92-360 % similar Cloxacillin61-72-356 % similar Nafcillin sodium985-16-053 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook