chempirical

Sodium nafcillin monohydrate

C21H23N2NaO6SCAS 7177-50-6454.47 g/mol

Open in Covalent MOL file
OONHONSO−OH2ONa+
AmideCarboxylic acidEtherLactamSulfide

Properties

Molecular formula
C21H23N2NaO6S
Molar mass
454.47 g/mol
Exact mass
454.1175 Da
logP
1.85Crippen estimate
Polar surface area
130.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
7177-50-6
SMILES
CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.O.[Na+]
InChIKey
RKBDQTFFBRQMPN-KMFBOIRUSA-N
InChI
InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/t15-,16+,19-;;/m1../s1

Weigh it out

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

Names and synonyms

6 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, sodium salt, hydrate (1:1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-
  • Sodium 6-(2-ethoxy-1-naphthamido)penicillanate monohydrate
  • Nafcillin sodium hydrate

Work with Sodium nafcillin 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

Nafcillin sodium985-16-096 % similar Methicillin sodium132-92-362 % similar Sodium oxacillin monohydrate7240-38-258 % similar Sodium cloxacillin monohydrate7081-44-954 % similar Sodium dicloxacillin monohydrate13412-64-154 % similar Penicillin G sodium69-57-854 % similar Carbenicillin disodium4800-94-652 % similar Cloxacillin sodium642-78-451 % similar

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

Elsewhere

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