Ceftiofur sodium

C19H16N5NaO7S3CAS 104010-37-9545.53 g/mol

ONONHONO−OSOOSSHNNHNa+
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C19H16N5NaO7S3
Molar mass
545.53 g/mol
Exact mass
545.0110 Da
logP
1.27Crippen estimate
Polar surface area
181.6 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
8
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
104010-37-9
SMILES
CON=C(C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(=N)[nH]1.[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

9 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, monosodium salt, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, monosodium salt, (6R,7R)-
  • Naxcel
  • U 64279E
  • Ceftiofur sodium salt
  • Sodium ceftiofur
  • Xceft
  • Excenell

Work with Ceftiofur sodium

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