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CHEBI:34612 - carfecillin sodium

ChEBI IDCHEBI:34612
ChEBI Namecarfecillin sodium
Stars
Last Modified12 February 2009
DownloadsMolfile
FormulaC23H21N2O6S.Na
Net Charge0
Average Mass476.486
Monoisotopic Mass476.10180
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1.[Na+]
InChIInChI=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
InChIKeyJXSBZDNBNJTHBJ-JPZUGYNPSA-M
ChEBI Ontology
Outgoing Relation(s)
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  Source
Carfecillin sodiumKEGG COMPOUND
Carbenicillin phenyl sodiumKEGG 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-carboxylateIUPAC
carfecilina sodicaChemIDplus
Manual XrefsDatabases
C13976KEGG COMPOUND
D02199KEGG DRUG
Registry NumbersSources
Beilstein:5403883Beilstein
CAS:21649-57-0KEGG COMPOUND
CAS:21649-57-0ChemIDplus