chempirical

Sodium oxacillin monohydrate

C19H20N3NaO6SCAS 7240-38-2441.43 g/mol

Open in Covalent MOL file
ONONHONSO−OH2ONa+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C19H20N3NaO6S
Molar mass
441.43 g/mol
Exact mass
441.0971 Da
Melting point
188 °C (decomposes)
logP
1.26Crippen estimate
Polar surface area
147.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
7240-38-2
SMILES
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.O.[Na+]
InChIKey
SNNRZFMTISMWEY-VICXVTCVSA-N
InChI
InChI=1S/C19H19N3O5S.Na.H2O/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);;1H2/t13-,14+,17-;;/m1../s1

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

Names and synonyms

5 names
  • 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, hydrate (1:1:1), (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, monohydrate
  • 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, monohydrate, [2S-(2α,5α,6β)]-
  • Stapenor sodium
  • Oxacillin sodium hydrate

Work with Sodium oxacillin monohydrate

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

Oxacillin sodium1173-88-295 % similar Sodium dicloxacillin monohydrate13412-64-184 % similar Sodium cloxacillin monohydrate7081-44-981 % similar Cloxacillin sodium642-78-477 % similar Flucloxacillin sodium1847-24-173 % similar Methicillin sodium132-92-360 % similar Sodium nafcillin monohydrate7177-50-658 % similar Carbenicillin disodium4800-94-656 % similar

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

Elsewhere

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