chempirical

Cefamandole

C18H18N6O5S2CAS 34444-01-4462.50 g/mol

Open in Covalent MOL file
NNNNSOHONONHOOHS
AlcoholAlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C18H18N6O5S2
Molar mass
462.50 g/mol
Exact mass
462.0780 Da
logP
0.61Crippen estimate
Polar surface area
154.0 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
7
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
34444-01-4
SMILES
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1
InChIKey
OLVCFLKTBJRLHI-AXAPSJFSSA-N
InChI
InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/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-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2R)-2-Hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cefadole
  • Cephamandole
  • 3-(1-Methyltetrazol-5-ylthiomethyl)-7-D-mandelamido-3-cephem-4-carboxylic acid
  • Cephadole
  • L-Cefamandole
  • Cefamandol
  • CMT

Work with Cefamandole

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

(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 acid24209-38-964 % similar Cefoperazone62893-19-059 % similar Cefpiramide70797-11-458 % similar Cefamandole sodium30034-03-857 % similar Cefmenoxime65085-01-057 % similar Cefmenoxime hydrochloride75738-58-855 % similar Cephalexin15686-71-251 % similar Cefotiam61622-34-250 % similar

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

Same formula

Cefatrizine51627-14-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook