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CHEBI:52015 - carindacillin
| Formula | C26H26N2O6S |
| Net Charge | 0 |
| Average Mass | 494.569 |
| Monoisotopic Mass | 494.15116 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1 |
| 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 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| carindacillin (CHEBI:52015) is a penicillin (CHEBI:17334) |
| carindacillin (CHEBI:52015) is conjugate acid of carindacillin(1−) (CHEBI:52016) |
| Incoming Relation(s) |
| 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 | Source |
|---|---|
| carindacilina | ChemIDplus |
| carindacillinum | ChemIDplus |
| carindacilline | ChemIDplus |
| carindacillin | KEGG DRUG |
| Synonyms | Source |
|---|---|
| carbenicillin indanyl | ChemIDplus |
| (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 |
| indanyl carbenicillin | ChemIDplus |