EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20Cl2N2O |
| Net Charge | 0 |
| Average Mass | 327.255 |
| Monoisotopic Mass | 326.09527 |
| SMILES | [H][C@]12CC[C@]([H])([C@H](/C=N/OC)[C@@H](c3ccc(Cl)c(Cl)c3)C1)N2C |
| InChI | InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9+/t11-,12+,13+,16+/m0/s1 |
| InChIKey | NRLIFEGHTNUYFL-QJDHNRDASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| brasofensine (CHEBI:750681) has parent hydride tropane (CHEBI:35615) |
| brasofensine (CHEBI:750681) is a azabicycloalkane (CHEBI:38295) |
| INNs | Source |
|---|---|
| brasofensina | WHO MedNet |
| brasofensine | WHO MedNet |