chempirical

Cefmetazole

C15H17N7O5S3CAS 56796-20-4471.53 g/mol

Open in Covalent MOL file
ONHOSNONOHOSNNNNS
AlkeneAmideCarboxylic acidEtherLactamNitrileSulfide

Properties

Molecular formula
C15H17N7O5S3
Molar mass
471.53 g/mol
Exact mass
471.0453 Da
logP
0.11Crippen 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
56796-20-4
SMILES
CO[C@@]1(N=C(O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
InChIKey
SNBUBQHDYVFSQF-HIFRSBDPSA-N
InChI
InChI=1S/C15H17N7O5S3/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

8 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-, (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-, (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-, (6R,7S)-
  • (6R,7S)-7-[[2-[(Cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • CS 1170
  • SKF 83088
  • U 72791a
  • U 72791

Work with Cefmetazole

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

Cefminox75481-73-175 % similar Cefotetan69712-56-763 % similar Cefmetazole sodium56796-39-556 % similar Cefbuperazone76610-84-955 % similar (6R,7R)-7-Amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid24209-38-951 % similar Cefminox sodium75498-96-350 % similar Moxalactam64952-97-249 % similar Flomoxef99665-00-649 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook