CHEBI:34612 - carfecillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name carfecillin sodium
ChEBI ID CHEBI:34612
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C23H21N2NaO6S
C23H21N2O6S.Na
Net Charge 0
Average Mass 476.47849
Monoisotopic Mass 476.10180
InChI InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1
InChIKey JXSBZDNBNJTHBJ-JPZUGYNPSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing carfecillin sodium (CHEBI:34612) has part carfecillin(1−) (CHEBI:51906)
carfecillin sodium (CHEBI:34612) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 2,2-dimethyl-6β-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3α-carboxylate
Synonyms Sources
Carbenicillin phenyl sodium KEGG COMPOUND
carfecilina sodica ChemIDplus
Carfecillin sodium KEGG COMPOUND
sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC
Manual Xrefs Databases
C13976 KEGG COMPOUND
D02199 KEGG DRUG
View more database links
Registry Numbers Types Sources
21649-57-0 CAS Registry Number KEGG COMPOUND
21649-57-0 CAS Registry Number ChemIDplus
5403883 Beilstein Registry Number Beilstein
Last Modified
12 February 2009