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

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

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+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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

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.

Sodium oxacillin monohydrate7240-38-2Hydrate

Similar compounds

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 Nafcillin sodium985-16-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook