EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | H2O.CH4O3S.C20H25NO3.H2O.H2O |
| Net Charge | 0 |
| Average Mass | 477.576 |
| Monoisotopic Mass | 477.20325 |
| SMILES | CS(=O)(=O)O.C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1.O.O.O |
| InChI | InChI=1S/C20H25NO3.CH4O3S.3H2O/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4;;;/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4);3*1H2/t15-,19+;;;;/m0..../s1 |
| InChIKey | LUILKELNVBKKTG-ZOZJKLBQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| traxoprodil mesylate (CHEBI:756242) is a piperidines (CHEBI:26151) |
| INN | Source |
|---|---|
| traxoprodil mesylate | WHO MedNet |
| Synonyms | Source |
|---|---|
| CP-101,606-27 | ChEMBL |
| CP-101606-27 | ChEMBL |
| Traxoprodil mesilate hydrate | ChEMBL |
| Traxoprodil mesilate trihydrate | ChEMBL |
| Traxoprodil mesylate trihydrate | ChEMBL |