chempirical

Cefmetazole sodium

C15H16N7NaO5S3CAS 56796-39-5493.51 g/mol

Open in Covalent MOL file
ONHOSNONO−OSNNNNSNa+
AlkeneAmideCarboxylic acidEtherLactamNitrileSulfide

Properties

Molecular formula
C15H16N7NaO5S3
Molar mass
493.51 g/mol
Exact mass
493.0273 Da
logP
-0.27Crippen estimate
Polar surface area
166.8 Ų
H-bond donors / acceptors
2 / 11
Rotatable bonds
9
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
56796-39-5
SMILES
CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CS[C@H]12.[Na+]
InChIKey
QTNLVCQCRNPXAJ-PBCQUBLHSA-N
InChI
InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/t13-,15+;/m1./s1

Weigh it out

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

Names and synonyms

11 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, sodium salt (1:1), (6R,7S)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R-cis)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7S)-
  • CS-1170 sodium salt
  • Sodium cefmetazole
  • Cefmetazone
  • Cefmetazole-na
  • Metazol
  • Zefazone
  • Cefmetazon
  • Metafar

Work with Cefmetazole 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

Cefminox sodium75498-96-365 % similar Cefotetan disodium74356-00-665 % 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)]-92636-39-063 % similar Cefmetazole56796-20-456 % similar Flomoxef sodium92823-03-551 % similar Latamoxef sodium64953-12-450 % similar Cefamandole nafate42540-40-947 % similar Cefoxitin sodium33564-30-646 % similar

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

Elsewhere

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