CHEBI:52015 - carindacillin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name carindacillin
ChEBI ID CHEBI:52015
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H26N2O6S
Net Charge 0
Average Mass 494.55900
Monoisotopic Mass 494.15116
InChI InChI=1S/C26H26N2O6S/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)/t18?,19-,20+,23-/m1/s1
InChIKey JIRBAUWICKGBFE-MNRDOXJOSA-N
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via penicillin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carindacillin (CHEBI:52015) is a penicillin (CHEBI:17334)
carindacillin (CHEBI:52015) is conjugate acid of carindacillin(1−) (CHEBI:52016)
Incoming carindacillin(1−) (CHEBI:52016) is conjugate base of carindacillin (CHEBI:52015)
IUPAC Name
6β-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-2,2-dimethylpenam-3α-carboxylic acid
INNs Sources
carindacilina ChemIDplus
carindacillin KEGG DRUG
carindacilline ChemIDplus
carindacillinum ChemIDplus
Synonyms Sources
(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-carboxylic acid IUPAC
6β-{2-[(2,3-dihydro-1H-inden-5-yloxy)carbonyl]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylic acid IUPAC
carbenicillin indanyl ChemIDplus
indanyl carbenicillin ChemIDplus
Manual Xrefs Databases
508 DrugCentral
D07621 KEGG DRUG
DE1959569 Patent
US3557090 Patent
US3574189 Patent
View more database links
Registry Numbers Types Sources
35531-88-5 CAS Registry Number ChemIDplus
5406175 Beilstein Registry Number Beilstein
Last Modified
22 February 2017