Registration Dossier

Reference substances

Reference substances

IUPAC name:
sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Inventory

EC number:
200-394-6
EC name:
Cefalotin sodium
CAS number:
58-71-9
CAS number:
58-71-9
Synonyms
Names:
cefalotin_sodium
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2- thienyl)acetamido)-, acetate, monosodium salt

Molecular and structural information

Molecular formula:
C16H16N2O6S2.Na
Molecular weight:
ca. 419.427
SMILES notation:
[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O
InChl:
InChI=1/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1
Structural formula:
Chemical structure

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