EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:748077 - ditercalinium chloride
| Formula | Cl.C46H50N6O2.Cl |
| Net Charge | 0 |
| Average Mass | 789.852 |
| Monoisotopic Mass | 788.33723 |
| SMILES | COc1ccc2nc3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1.[Cl-].[Cl-] |
| InChI | InChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H |
| InChIKey | FWBSWSRNGHRDFZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ditercalinium chloride (CHEBI:748077) is a carbazoles (CHEBI:48513) |
| INNs | Source |
|---|---|
| chlorure de ditercalinium | WHO MedNet |
| cloruro de ditercalinio | WHO MedNet |
| ditercalinium chloride | WHO MedNet |
| Synonym | Source |
|---|---|
| NSC-335153 | ChEMBL |
| Citations |
|---|