chempirical

Cefamandole nafate

C19H17N6NaO6S2CAS 42540-40-9512.49 g/mol

Open in Covalent MOL file
NNNNSSNHOOOONO−ONa+
AlkeneAmideCarboxylic acidEsterLactamSulfide

Properties

Molecular formula
C19H17N6NaO6S2
Molar mass
512.49 g/mol
Exact mass
512.0549 Da
Melting point
190 °C (decomposes)
logP
0.41Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
9
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
42540-40-9
SMILES
Cn1nnnc1SCC=1CS[C@@H]2[C@H](NC(=O)[C@H](OC=O)c3ccccc3)C(=O)N2C1C([O-])=O.[Na+]
InChIKey
FUWWBXJEMYXCMO-YCLOEFEOSA-N
InChI
InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/t12-,14-,17-;/m1./s1

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

Names and synonyms

24 names · show all
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-(formyloxy)-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-(formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7R)-
  • Sodium 7-(D-2-formyloxy-2-phenylacetamido)-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate
  • O-Formylcefamandole sodium
  • Cefamandole formate sodium
  • Cephamandole nafate
  • Mandol
  • Kefadol
  • Sodium O-formylcefamandole
  • Neocefal
  • Mandokef
  • Mandolsan
  • Cemandil
  • Pavecef
  • Kefandol
  • Bergacef
  • Cefiran
  • Cefam
  • Fado
  • Lampomandol
  • Cedol
  • Cemado
  • NSC 299588

Work with Cefamandole nafate

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

Cefamandole sodium30034-03-881 % similar Cefonicid sodium61270-78-863 % similar Cefoperazone sodium62893-20-360 % similar Cefpiramide sodium74849-93-759 % similar Cefamandole34444-01-449 % similar (6R,7S)-7-[[(2R)-2-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid1315481-36-747 % similar Cefmetazole sodium56796-39-547 % similar Latamoxef sodium64953-12-446 % similar

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

Elsewhere

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