chempirical

Flomoxef sodium

C15H17F2N6NaO7S2CAS 92823-03-5518.44 g/mol

Open in Covalent MOL file
ONHOSFFONO−OSNNNNOHONa+
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

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+]
InChIKey
SYHZUFMYQQRMKT-YLCXCWDSSA-N
InChI
InChI=1S/C15H18F2N6O7S2.Na/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24;/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27);/t12-,15+;/m1./s1

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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

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

Similar compounds

Flomoxef99665-00-659 % similar Latamoxef sodium64953-12-454 % similar Cefmetazole sodium56796-39-551 % similar Cefotetan disodium74356-00-644 % similar Cefminox sodium75498-96-343 % similar 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(2-amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, heptahydrate, [6R-(6α,7α)]-92636-39-042 % similar Cefoxitin sodium33564-30-639 % similar Cefonicid sodium61270-78-835 % similar

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

Elsewhere

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