chempirical

Sulbenicillin sodium

C16H16N2Na2O7S2CAS 28002-18-8458.41 g/mol

Open in Covalent MOL file
SNHOSO−OOONO−ONa+Na+
AmideCarboxylic acidLactamSulfideSulfonic acid

Properties

Molecular formula
C16H16N2Na2O7S2
Molar mass
458.41 g/mol
Exact mass
458.0194 Da
logP
0.33Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
28002-18-8
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(c3ccccc3)S([O-])(=O)=O)C(=O)N2[C@H]1C([O-])=O.[Na+].[Na+]
InChIKey
IGNODAGFTVBLTL-HCIBPFAFSA-N
InChI
InChI=1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/t9-,10?,11+,14-;;/m1../s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-, sodium salt (1:2), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenyl-2-sulfoacetamido)-, disodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylsulfoacetyl)amino]-, disodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylsulfoacetyl)amino]-, disodium salt, (2S,5R,6R)-
  • Sulfocillin
  • α-Sulfobenzylpenicillin sodium salt
  • α-Sulfobenzylpenicillin disodium salt
  • Disodium sulbenicillin
  • Lilacillin
  • Disodium sulfobenzylpenicillin
  • Kedacillin
  • Sodium sulbenicillin
  • α-Sulfocillin
  • Sulbenicillin disodium

Work with Sulbenicillin 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

Carbenicillin disodium4800-94-676 % similar Ampicillin sodium69-52-373 % similar Azlocillin sodium37091-65-964 % similar Penicillin G sodium69-57-863 % similar Ticarcillin disodium29457-07-661 % similar Ticillin4697-14-761 % similar Amoxicillin sodium34642-77-861 % similar Piperacillin sodium59703-84-359 % similar

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

Elsewhere

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