chempirical

Cefotetan disodium

C17H15N7Na2O8S4CAS 74356-00-6619.57 g/mol

Open in Covalent MOL file
ONHOSNH2OO−OSONO−OSNNNNSNa+Na+
AlkeneAmideCarboxylic acidEtherLactamSulfide

Properties

Molecular formula
C17H15N7Na2O8S4
Molar mass
619.57 g/mol
Exact mass
618.9660 Da
logP
-1.32Crippen estimate
Polar surface area
223.4 Ų
H-bond donors / acceptors
4 / 13
Rotatable bonds
9
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
74356-00-6
SMILES
CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C([O-])=O)S2)C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CS[C@H]12.[Na+].[Na+]
InChIKey
LUEJDHJZJQWQLM-ZTQQJVKJSA-N
InChI
InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/t13?,15-,17+;;/m1../s1

Weigh it out

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

Names and synonyms

11 names
  • Ceftenon
  • Apatef
  • Cefotan
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, sodium salt (1:2), (6R,7S)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, disodium salt, [6R-(6α,7α)]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, disodium salt, (6R,7S)-
  • 1,3-Dithietane, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.
  • YM 09330
  • Yamatetan
  • Cefotetan sodium
  • Cepan darvilen

Work with Cefotetan disodium

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

Cefmetazole sodium56796-39-565 % similar Cefminox sodium75498-96-355 % similar Cefotetan69712-56-755 % similar Latamoxef sodium64953-12-453 % 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)]-92636-39-053 % similar Cefamandole nafate42540-40-945 % similar Cefamandole sodium30034-03-845 % similar Flomoxef sodium92823-03-544 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook