chempirical

Cefamandole sodium

C18H17N6NaO5S2CAS 30034-03-8484.48 g/mol

Open in Covalent MOL file
NNNNSSNHOOHONO−ONa+
AlcoholAlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C18H17N6NaO5S2
Molar mass
484.48 g/mol
Exact mass
484.0600 Da
logP
0.23Crippen 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
30034-03-8
SMILES
Cn1nnnc1SCC=1CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N2C1C([O-])=O.[Na+]
InChIKey
SZKYIAIRBIWMNE-CFOLLTDRSA-N
InChI
InChI=1S/C18H18N6O5S2.Na/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

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

Names and synonyms

9 names
  • 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-, monosodium salt, [6R-[6α,7β(R*)]]-
  • 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-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, D-
  • 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-, monosodium salt, (6R,7R)-
  • Sodium 7-D-mandelamido-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate
  • Cefamandole sodium salt
  • Sodium cefamandole
  • Sodium [6R-[6α,7β(R*)]]-7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Kefdole

Work with Cefamandole 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

Cefamandole nafate42540-40-981 % similar Cefonicid sodium61270-78-876 % similar Cefoperazone sodium62893-20-363 % similar Cefpiramide sodium74849-93-762 % similar Cefamandole34444-01-457 % 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 acid1315481-36-750 % 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 acid24209-38-948 % similar Cefsulodin sodium52152-93-947 % similar

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

Elsewhere

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