Flomoxef sodium

C15H17F2N6NaO7S2CAS 92823-03-5518.44 g/mol

ONHOSFFONO−OSNNNNHOONa+
AlcoholAlkeneAlkyl halideAmideCarboxylic acidEtherLactamSulfide

Properties

Molecular formula
C15H17F2N6NaO7S2
Molar mass
518.44 g/mol
Exact mass
518.0466 Da
logP
-0.83Crippen estimate
Polar surface area
172.5 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
11
Stereocentres
R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
92823-03-5
SMILES
CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C([O-])=O)=C(CSc3nnnn3CCO)CO[C@H]12.[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.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, sodium salt (1:1), (6R,7R)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, monosodium salt, (6R-cis)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, monosodium salt, (6R,7R)-
  • 6315S
  • 6315 S Shionogi
  • Flomoxef sodium salt
  • Flumarin

Work with Flomoxef 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.

Elsewhere