EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H4O4.C21H35N3 |
| Net Charge | 0 |
| Average Mass | 445.604 |
| Monoisotopic Mass | 445.29406 |
| SMILES | CCCCCCN1CCN(/C(=N\CC(C)C)c2ccccc2)CC1.O=C(O)/C=C\C(=O)O |
| InChI | InChI=1S/C21H35N3.C4H4O4/c1-4-5-6-10-13-23-14-16-24(17-15-23)21(22-18-19(2)3)20-11-8-7-9-12-20;5-3(6)1-2-4(7)8/h7-9,11-12,19H,4-6,10,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b22-21-;2-1- |
| InChIKey | GRQHZPQLVLZJHM-HCVWCFOQSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bucainide maleate (CHEBI:752047) is a N-alkylpiperazine (CHEBI:46845) |
| Synonym | Source |
|---|---|
| Bucainide maleate | ChEMBL |