chempirical

Nafcillin sodium

C21H21N2NaO5SCAS 985-16-0436.46 g/mol

Open in Covalent MOL file
OONHONSO−ONa+
AmideCarboxylic acidEtherLactamSulfide

Properties

Molecular formula
C21H21N2NaO5S
Molar mass
436.46 g/mol
Exact mass
436.1069 Da
logP
2.68Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
985-16-0
SMILES
CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.[Na+]
InChIKey
FZWUJBMAAITKNH-FRFVDRIFSA-N
InChI
InChI=1S/C21H22N2O5S.Na/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);/t15-,16+,19-;/m1./s1

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

Names and synonyms

16 names · show all
  • 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 (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
  • 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, [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, (2S,5R,6R)-
  • Wy 3277
  • Nafcillin sodium salt
  • Sodium 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Sodium 6-(2-ethoxy-1-naphthamido)penicillanate
  • Sodium nafcillin
  • Unipen
  • BRL 1383
  • 6-(2-Ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt
  • 6-(2-Ethoxy-1-naphthamido)penicillin sodium salt
  • Naftopen
  • Naphthicillin
  • Nafcil

Work with Nafcillin 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 nafcillin monohydrate7177-50-696 % similar Methicillin sodium132-92-364 % similar Oxacillin sodium1173-88-257 % similar Penicillin G sodium69-57-856 % similar Sodium oxacillin monohydrate7240-38-255 % similar Carbenicillin disodium4800-94-654 % similar Cloxacillin sodium642-78-453 % similar Ampicillin sodium69-52-353 % similar

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

Elsewhere

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