chempirical

Oxacillin sodium

C19H18N3NaO5SCAS 1173-88-2423.42 g/mol

Open in Covalent MOL file
ONONHONSO−ONa+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C19H18N3NaO5S
Molar mass
423.42 g/mol
Exact mass
423.0865 Da
Melting point
188 °C (decomposes)
logP
2.09Crippen 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
1173-88-2
SMILES
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.[Na+]
InChIKey
HASPTBGYIXWQJO-SLINCCQESA-N
InChI
InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/t13-,14+,17-;/m1./s1

Weigh it out

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

Names and synonyms

28 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-, sodium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamido)-7-oxo-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-, monosodium salt, (2S,5R,6R)-
  • Sodium (5-methyl-3-phenyl-2-isoxazoline-4-carboxamido)penicillanate
  • 5-Methyl-3-phenyl-4-isoxazolyl penicillin sodium salt
  • Sodium 5-methyl-3-phenyl-4-isoxazolyl penicillin
  • Oxacillin sodium salt
  • Sodium [(3-phenyl-5-methyl-4-isoxazolyl)carbonyl]penicillin
  • Prostaphlin
  • SQ 16423
  • BRL 1400
  • Penicillin P 12
  • P 12
  • Cryptocillin
  • Bristopen
  • Sodium oxacillin
  • Stapenor
  • Staphcillin V
  • Monosodium oxacillin
  • Bactocil sodium
  • Bactocill
  • Oxabel
  • Micropenin
  • Penstaphocid
  • Penstapho
  • NSC 527712
  • Bactocil

Work with Oxacillin 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 oxacillin monohydrate7240-38-295 % similar Cloxacillin sodium642-78-481 % similar Sodium dicloxacillin monohydrate13412-64-179 % similar Sodium cloxacillin monohydrate7081-44-977 % similar Flucloxacillin sodium1847-24-176 % similar Methicillin sodium132-92-363 % similar Carbenicillin disodium4800-94-658 % similar Penicillin G sodium69-57-858 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook