EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:751604 - samidorphan l-malate
| Formula | C4H6O5.C21H26N2O4 |
| Net Charge | 0 |
| Average Mass | 504.536 |
| Monoisotopic Mass | 504.21078 |
| SMILES | O=C(O)C[C@H](O)C(=O)O.[H][C@]12Cc3ccc(C(N)=O)c(O)c3[C@@]3(CCN1CC1CC1)CC(=O)CC[C@]32O |
| InChI | InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);2,5H,1H2,(H,6,7)(H,8,9)/t16-,20-,21-;2-/m10/s1 |
| InChIKey | RARHXUAUPNYAJF-QSYGGRRVSA-N |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| samidorphan l-malate (CHEBI:751604) has role antipsychotic agent (CHEBI:35476) |
| samidorphan l-malate (CHEBI:751604) is a phenanthrenes (CHEBI:25961) |
| Synonyms | Source |
|---|---|
| RDC-0313-02 | ChEMBL |
| Samidorphan l-malate | ChEMBL |
| Samidorphan malate | ChEMBL |
| Brand Name | Source |
|---|---|
| Samidorphan l-malate component of lybalvi | ChEMBL |