chempirical

Cefsulodin sodium

C22H19N4NaO8S2CAS 52152-93-9554.52 g/mol

Open in Covalent MOL file
NH2ON+SNHOSO−OOONO−ONa+
AlkeneAmideCarboxylic acidLactamSulfideSulfonic acid

Properties

Molecular formula
C22H19N4NaO8S2
Molar mass
554.52 g/mol
Exact mass
554.0542 Da
Melting point
175 °C (decomposes)
logP
0.34Crippen estimate
Polar surface area
195.4 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
8
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
52152-93-9
SMILES
NC(=O)c1cc[n+](CC=2CS[C@@H]3[C@H](NC(=O)[C@@H](c4ccccc4)S([O-])(=O)=O)C(=O)N3C2C([O-])=O)cc1.[Na+]
InChIKey
GTZPOHRNWUTXNB-DWBVFMGKSA-N
InChI
InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/t15-,17-,21-;/m1./s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Pyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, sodium salt (1:1)
  • Pyridinium, 4-(aminocarbonyl)-1-[[2-carboxy-8-oxo-7-[(phenylsulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, hydroxide, inner salt, monosodium salt, [6R-[6α,7β(R*)]]-
  • Pyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, monosodium salt
  • 7-(D-α-Sulfophenylacetamido)ceph-3-em-3-(4′-carbamoylpyridinium)methyl-4-carboxylate sodium salt
  • SCE 129
  • Cefsulodin
  • CGP 7174E
  • Monosodium cefsulodin
  • D-(-)-SCE-129
  • Takesulin
  • Tilmapor
  • Sodium cefsulodin
  • Pyridinium, 4-(aminocarbonyl)-1-[[2-carboxy-8-oxo-7-[(phenylsulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, monosodium salt, [6R-[6α,7β(R*)]]-
  • Pseudomonil
  • Sulcephalosporin
  • Abbot 46811
  • Cefomonil
  • Monaspor
  • Pyocefal
  • Ulfar
  • Pseudocef

Work with Cefsulodin 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

Cefonicid sodium61270-78-848 % similar Cefamandole sodium30034-03-847 % similar Cefsulodin62587-73-947 % similar Cefamandole nafate42540-40-945 % similar Sulbenicillin sodium28002-18-845 % similar Cephalothin sodium58-71-940 % similar Cefalonium5575-21-340 % similar Cefuroxime sodium56238-63-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook