chempirical

Methicillin sodium

C17H19N2NaO6SCAS 132-92-3402.40 g/mol

Open in Covalent MOL file
OOONHONSO−ONa+
AmideCarboxylic acidEtherLactamSulfide

Properties

Molecular formula
C17H19N2NaO6S
Molar mass
402.40 g/mol
Exact mass
402.0862 Da
logP
1.14Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
132-92-3
SMILES
COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.[Na+]
InChIKey
YPDBCTZTLGGIMN-UMLIZJHQSA-N
InChI
InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/t11-,12+,15-;/m1./s1

Weigh it out

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

Names and synonyms

34 names · show all
  • Sodium dimethoxyphenylpenicillin
  • Celpilline
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2,6-dimethoxybenzoyl)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-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • Belfacillin
  • Dimocillin-R-2
  • Dimocillin sodium
  • Sodium 6-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Sodium 6-(2′,6′-dimethoxybenzamido)penicillanate
  • Staphcillin
  • Sodium (2,6-dimethoxyphenyl)penicillin
  • Methicillin sodium salt
  • Sodium methicillin
  • Estafcilina
  • Penysol
  • Lucopenin
  • Staficyn
  • Penaureus
  • Synticillin
  • X-1497
  • SQ 16123
  • Flabelline
  • Cinopenil
  • Meticillin sodium
  • Celbenin
  • Meticillin sodium salt
  • Dimocillin
  • Azapen
  • Penistaph
  • Dimethoxyphenecillin sodium
  • Celpillina
  • BRL 1241

Work with Methicillin 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

Nafcillin sodium985-16-064 % similar Oxacillin sodium1173-88-263 % similar Sodium nafcillin monohydrate7177-50-662 % similar Sodium oxacillin monohydrate7240-38-260 % similar Cloxacillin sodium642-78-460 % similar Carbenicillin disodium4800-94-660 % similar Penicillin G sodium69-57-860 % similar Sodium dicloxacillin monohydrate13412-64-159 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook