CHEBI:31358 - carindacillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name carindacillin sodium
ChEBI ID CHEBI:31358
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C26H25N2NaO6S
C26H25N2O6S.Na
Net Charge 0
Average Mass 516.54100
Monoisotopic Mass 516.133
InChI InChI=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
InChIKey QFWPXOXWAUAYAB-XZVIDJSISA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
Carbenicillin indanyl sodium KEGG COMPOUND
Carindacillin sodium KEGG COMPOUND
indanyl carbenicillin sodium salt ChemIDplus
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-carboxylate IUPAC
sodium 5-indanylcarbenicillin ChEBI
sodium 6β-{2-[(2,3-dihydro-1H-inden-5-yloxy)carbonyl]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate IUPAC
Brand Name Source
Geocillin KEGG DRUG
Manual Xrefs Databases
C12712 KEGG COMPOUND
D01283 KEGG DRUG
View more database links
Registry Numbers Types Sources
26605-69-6 CAS Registry Number KEGG COMPOUND
26605-69-6 CAS Registry Number ChemIDplus
Last Modified
02 March 2009