chempirical

Penicillin G sodium

C16H17N2NaO4SCAS 69-57-8356.37 g/mol

Open in Covalent MOL file
SNHOONO−ONa+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C16H17N2NaO4S
Molar mass
356.37 g/mol
Exact mass
356.0807 Da
Melting point
222 °C (decomposes)
logP
1.32Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
69-57-8
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O.[Na+]
InChIKey
XFGIVHXZEANRAL-LQDWTQKMSA-N
InChI
InChI=1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/t11-,12+,14-;/m1./s1

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

Names and synonyms

27 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, sodium salt (1:1)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, monosodium salt
  • Benzylpenicillinic acid sodium salt
  • Benzylpenicillin sodium
  • Benzylpenicillin sodium salt
  • Novocillin
  • Penilaryn
  • Sodium benzylpenicillin
  • Sodium benzylpenicillinate
  • Sodium penicillin G
  • Sodium penicillin II
  • Veticillin
  • Penicillin G sodium salt
  • Sodium benzylpenicillin G
  • Pen-A-brasive
  • Sodium penicillin
  • Sodium 6-(phenylacetamido)penicillanate
  • Mycofarm
  • Crystapen
  • Monosodium benzylpenicillin
  • Monocillin
  • American penicillin
  • Nalpen G
  • Nobak
  • Ethacillin

Work with Penicillin G 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

Penicillin G potassium113-98-491 % similar Penicillin V potassium132-98-970 % similar Carbenicillin disodium4800-94-668 % similar Ampicillin sodium69-52-366 % similar Sulbenicillin sodium28002-18-863 % similar Methicillin sodium132-92-360 % similar Azlocillin sodium37091-65-959 % similar Oxacillin sodium1173-88-258 % similar

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

Elsewhere

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