chempirical

Cephapirin sodium

C17H16N3NaO6S2CAS 24356-60-3445.44 g/mol

Open in Covalent MOL file
OOSNHOSNONO−ONa+
AlkeneAmideCarboxylic acidEsterLactamSulfide

Properties

Molecular formula
C17H16N3NaO6S2
Molar mass
445.44 g/mol
Exact mass
445.0378 Da
logP
0.93Crippen estimate
Polar surface area
129.4 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
24356-60-3
SMILES
CC(=O)OCC=1CS[C@@H]2[C@H](NC(=O)CSc3ccncc3)C(=O)N2C1C([O-])=O.[Na+]
InChIKey
FKAFVHOJYJGQLK-OALZAMAHSA-N
InChI
InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/t13-,16-;/m1./s1

Weigh it out

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

Names and synonyms

22 names · show all
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(4-pyridylthio)acetamido]-, acetate (ester), monosodium salt
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodium salt, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodium salt, (6R,7R)-
  • Sodium cephapirin
  • BLP 1322
  • 7-[α-(4-Pyridylthio)acetamido]cephalosporanic acid sodium salt
  • Cefadyl
  • Cephatrexil
  • Cefatrexyl
  • Cefaprin sodium
  • Cefaloject
  • Sodium cefapirin
  • Cefapirin sodium
  • Cefa-lak
  • Today
  • Brisfirina
  • Ambrocef
  • Cef-lak
  • Piricef
  • Bristocef
  • NSC 179171

Work with Cephapirin 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

Cephalothin sodium58-71-968 % similar 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-59143-60-155 % similar Cefotaxime sodium64485-93-453 % similar Cephapirin benzathine97468-37-648 % similar Cefuroxime sodium56238-63-247 % similar Cefazolin sodium27164-46-145 % similar Ceftezole sodium41136-22-545 % similar Cefamandole sodium30034-03-842 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook