chempirical

Carbenicillin disodium

C17H16N2Na2O6SCAS 4800-94-6422.36 g/mol

Open in Covalent MOL file
SNHOO−OONO−ONa+Na+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C17H16N2Na2O6S
Molar mass
422.36 g/mol
Exact mass
422.0524 Da
logP
0.57Crippen estimate
Polar surface area
127.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
4800-94-6
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O.[Na+].[Na+]
InChIKey
MYWJHWLQHFVZCY-YCAHSCEMSA-N
InChI
InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/t9?,10-,11+,14-;;/m1../s1

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Names and synonyms

28 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6R)-
  • Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-2-phenyl-, disodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxyphenylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxyphenylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, (2S,5R,6R)-
  • BRL 2064
  • Pyopen
  • Disodium carbenicillin
  • α-Carboxybenzylpenicillin sodium salt
  • Carbenicillin sodium
  • Pyopene
  • Carbenicillin disodium salt
  • α-Carboxybenzylpenicillin disodium salt
  • Sodium carbenicillin
  • Disodium (α-carboxybenzyl)penicillin
  • Fugacillin
  • Anabactyl
  • Carbenicilline disodium
  • Geopen
  • Carbecin
  • CP 15639-2
  • Gripenin
  • Microcillin
  • Piopen
  • Carboxybenzylpenicillin sodium
  • Carbapen
  • Hyoper
  • Geocillin
  • NSC 111071

Work with Carbenicillin disodium

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

Ampicillin sodium69-52-380 % similar Ticarcillin disodium29457-07-677 % similar Ticillin4697-14-777 % similar Sulbenicillin sodium28002-18-876 % similar Azlocillin sodium37091-65-968 % similar Penicillin G sodium69-57-868 % similar Ticarcillin monosodium74682-62-566 % similar Amoxicillin sodium34642-77-865 % similar

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

Elsewhere

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