CHEBI:3542 - cephalothin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cephalothin sodium
ChEBI ID CHEBI:3542
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H15N2O6S2.Na
Net Charge 0
Average Mass 418.42195
Monoisotopic Mass 418.02692
InChI InChI=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
InChIKey VUFGUVLLDPOSBC-XRZFDKQNSA-M
SMILES [Na+].[H][C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C([O-])=O)=C(COC(C)=O)CS[C@]12[H]
ChEBI Ontology
Outgoing 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 Sources
7-(Thiophene-2-acetamido)cephalosporanic acid sodium salt ChemIDplus
Cefalotin sodium KEGG COMPOUND
Cefalotina sódica ChemIDplus
Cephalothin sodium KEGG COMPOUND
Monosodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate ChemIDplus
Sodium cefalotin ChemIDplus
Sodium cephalothin ChemIDplus
Sodium cephalotin ChemIDplus
Manual Xrefs Databases
C08100 KEGG COMPOUND
D00907 KEGG DRUG
DB00456 DrugBank
View more database links
Registry Numbers Types Sources
4120707 Beilstein Registry Number Beilstein
58-71-9 CAS Registry Number ChemIDplus
Last Modified
02 December 2009