Ceftezole sodium

C13H11N8NaO4S3CAS 41136-22-5462.45 g/mol

O−OSNNSSNHONNNNONNa+
AlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C13H11N8NaO4S3
Molar mass
462.45 g/mol
Exact mass
461.9963 Da
logP
-0.48Crippen estimate
Polar surface area
159.6 Ų
H-bond donors / acceptors
2 / 11
Rotatable bonds
7
Stereocentres
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
41136-22-5
SMILES
[O-]C(=O)C1=C(CSc2nncs2)CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12.[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

4 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, monosodium salt, (6R-trans)-
  • Sodium 7-[(1H-tetrazol-4-yl)acetyl]-3-(1,3,4-thiadiazol-5-ylthio)cephalosporanate
  • Celoslin

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

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

Elsewhere