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CHEBI:31358 - carindacillin sodium

ChEBI IDCHEBI:31358
ChEBI Namecarindacillin sodium
Stars
Last Modified2 March 2009
DownloadsMolfile
FormulaC26H25N2O6S.Na
Net Charge0
Average Mass516.551
Monoisotopic Mass516.13310
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1.[Na+]
InChIInChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1
InChIKeyQFWPXOXWAUAYAB-XZVIDJSISA-M
ChEBI Ontology
Outgoing Relation(s)
carindacillin sodium (CHEBI:31358) has part carindacillin(1−) (CHEBI:52016)
carindacillin sodium (CHEBI:31358) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 6β-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
Carindacillin sodiumKEGG COMPOUND
Carbenicillin indanyl sodiumKEGG COMPOUND
sodium 6β-{2-[(2,3-dihydro-1H-inden-5-yloxy)carbonyl]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylateIUPAC
sodium (2S,5R,6R)-6-{[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
indanyl carbenicillin sodium saltChemIDplus
sodium 5-indanylcarbenicillinChEBI
Brand Name  Source
GeocillinKEGG DRUG
Manual XrefsDatabases
C12712KEGG COMPOUND
D01283KEGG DRUG
Registry NumbersSources
CAS:26605-69-6KEGG COMPOUND
CAS:26605-69-6ChemIDplus