Ceftiofur sodium

C19H16N5NaO7S3CAS 104010-37-9545.53 g/mol

Open in Covalent MOL file
ONONHONO−OSOOSSH2NNNa+
AlkeneAmideCarboxylic acidLactamOximePrimary amineSulfide

Properties

Molecular formula
C19H16N5NaO7S3
Molar mass
545.53 g/mol
Exact mass
545.0110 Da
logP
-3.35Crippen estimate
Polar surface area
180.3 Ų
H-bond donors / acceptors
2 / 13
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

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

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Identifiers

CAS number
104010-37-9
SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1.[Na+]
InChIKey
RFLHUYUQCKHUKS-JUODUXDSSA-M
InChI
InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1

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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

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

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.

Ceftiofur80370-57-6Free acid Ceftiofur hydrochloride103980-44-5Salt

Similar compounds

Cefotaxime sodium64485-93-471 % similar Cefovecin sodium141195-77-968 % similar Cefepime88040-23-767 % similar Cefodizime disodium86329-79-566 % similar Cefpirome84957-29-964 % similar Cefuroxime sodium56238-63-264 % similar Ceftizoxime sodium68401-82-162 % similar Cefquinome sulfate118443-89-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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