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CHEBI:3542 - cephalothin sodium

ChEBI IDCHEBI:3542
ChEBI Namecephalothin sodium
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC16H15N2O6S2.Na
Net Charge0
Average Mass418.428
Monoisotopic Mass418.02692
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@@]2([H])NC(=O)Cc1cccs1.[Na+]
InChIInChI=1S/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/p-1/t12-,15-;/m1./s1
InChIKeyVUFGUVLLDPOSBC-XRZFDKQNSA-M
ChEBI Ontology
Outgoing Relation(s)
cephalothin sodium (CHEBI:3542) has part cefalotin (CHEBI:124991)
cephalothin sodium (CHEBI:3542) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms  Source
Cephalothin sodiumKEGG COMPOUND
Cefalotin sodiumKEGG COMPOUND
Cefalotina sódicaChemIDplus
7-(Thiophene-2-acetamido)cephalosporanic acid sodium saltChemIDplus
Sodium cefalotinChemIDplus
Sodium cephalothinChemIDplus
Manual XrefsDatabases
C08100KEGG COMPOUND
D00907KEGG DRUG
DB00456DrugBank
Registry NumbersSources
Beilstein:4120707Beilstein
CAS:58-71-9ChemIDplus