EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | K.C26H26F5N6O3.C2H6O |
| Net Charge | 0 |
| Average Mass | 650.690 |
| Monoisotopic Mass | 650.20423 |
| SMILES | CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+] |
| InChI | InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1 |
| InChIKey | DYXNKCSVHJFUSS-LEVQAPRMSA-M |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| telcagepant potassium (CHEBI:751555) is a α-amino acid (CHEBI:33704) |
| Synonyms | Source |
|---|---|
| Telcagepant potassium | ChEMBL |
| Telcagepant potassium ethanol | ChEMBL |
| Telcagepant potassium salt monoethanolate | ChEMBL |