EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14ClNO2 |
| Net Charge | 0 |
| Average Mass | 251.713 |
| Monoisotopic Mass | 251.07131 |
| SMILES | CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1 |
| InChI | InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17) |
| InChIKey | PIDSZXPFGCURGN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pirprofen (CHEBI:135028) is a pyrroline (CHEBI:23763) |
| Synonyms | Source |
|---|---|
| rengasil | DrugCentral |
| racemic pirprofen | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| 2213 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:31793-07-4 | DrugCentral |