chempirical

Latamoxef sodium

C20H18N6Na2O9SCAS 64953-12-4564.44 g/mol

Open in Covalent MOL file
OHNOO−OHOONO−OSNNNNONa+Na+
AlkeneAmideCarboxylic acidEtherLactamPhenolSulfide

Properties

Molecular formula
C20H18N6Na2O9S
Molar mass
564.44 g/mol
Exact mass
564.0651 Da
logP
-1.05Crippen estimate
Polar surface area
209.8 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
9
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
64953-12-4
SMILES
CO[C@@]1(NC(=O)[C@H](C([O-])=O)c2ccc(O)cc2)C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CO[C@H]12.[Na+].[Na+]
InChIKey
WXZMENVSIQCXRV-GDUWRUPCSA-N
InChI
InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/t12-,18-,20+;;/m1../s1

Weigh it out

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

Names and synonyms

12 names
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, sodium salt (1:2), (6R,7R)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, disodium salt, (6R,7R)-
  • Shionogi 6059S
  • 6059S
  • LY 127935
  • Moxalactam disodium
  • Disodium latamoxef
  • Shiomarin
  • Antibiotic 6059S
  • S 6059
  • LY 12735
  • Festamoxin

Work with Latamoxef 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

Moxalactam64952-97-256 % similar Flomoxef sodium92823-03-554 % similar Cefotetan disodium74356-00-653 % similar Cefmetazole sodium56796-39-550 % similar Cefminox sodium75498-96-347 % similar Cefamandole nafate42540-40-946 % 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)]-92636-39-046 % similar Cefoperazone sodium62893-20-345 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook