EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27N3O |
| Net Charge | 0 |
| Average Mass | 301.434 |
| Monoisotopic Mass | 301.21541 |
| SMILES | COc1cc(NCCCCCNC(C)C)c2ncccc2c1 |
| InChI | InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3 |
| InChIKey | VKXQZROIIKPELG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentaquine (CHEBI:748135) is a quinolines (CHEBI:26513) |
| INN | Source |
|---|---|
| pentaquina | WHO MedNet |
| Synonym | Source |
|---|---|
| Pentaquine | ChEMBL |
| Citations |
|---|