EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H36N6O4S |
| Net Charge | 0 |
| Average Mass | 516.668 |
| Monoisotopic Mass | 516.25187 |
| SMILES | CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc(=O)c2c(n1)c(CCC)nn2C |
| InChI | InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32) |
| InChIKey | IYFNEFQTYQPVOC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Synonyms | Source |
|---|---|
| DA-8159 | DrugCentral |
| zydena | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| 4141 | DrugCentral |
| HMDB0015628 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:268203-93-6 | DrugCentral |