Cefonicid sodium

C18H16N6Na2O8S3CAS 61270-78-8586.52 g/mol

O−OSNNNNSO−OOSHNOOHONNa+Na+
AlcoholAlkeneAmideCarboxylic acidLactamSulfideSulfonic acid

Properties

Molecular formula
C18H16N6Na2O8S3
Molar mass
586.52 g/mol
Exact mass
585.9987 Da
logP
-0.84Crippen estimate
Polar surface area
208.4 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
9
Stereocentres
R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
61270-78-8
SMILES
[O-]C(=O)C1=C(CSc2nnnn2CS([O-])(=O)=O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

8 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, sodium salt (1:2), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(hydroxyphenylacetyl)amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, (6R,7R)-
  • SKF 75073
  • Disodium cefonicid
  • Cefonicid disodium salt
  • Cefoplus
  • Monocid

Work with Cefonicid sodium

Similar compounds

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

Elsewhere