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CHEBI:70732 - lurasidone hydrochloride
| Formula | C28H36N4O2S.HCl |
| Net Charge | 0 |
| Average Mass | 529.150 |
| Monoisotopic Mass | 528.23258 |
| SMILES | Cl.[H][C@@]12C(=O)N(C[C@@H]3CCCC[C@H]3CN3CCN(c4nsc5ccccc45)CC3)C(=O)[C@]1([H])[C@H]1CC[C@@H]2C1 |
| InChI | InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1 |
| InChIKey | NEKCRUIRPWNMLK-SCIYSFAVSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. adrenergic antagonist An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. |
| Applications: | second generation antipsychotic Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. adrenergic antagonist An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lurasidone hydrochloride (CHEBI:70732) has part lurasidone(1+) (CHEBI:70734) |
| lurasidone hydrochloride (CHEBI:70732) has role adrenergic antagonist (CHEBI:37887) |
| lurasidone hydrochloride (CHEBI:70732) has role dopaminergic antagonist (CHEBI:48561) |
| lurasidone hydrochloride (CHEBI:70732) has role second generation antipsychotic (CHEBI:65191) |
| lurasidone hydrochloride (CHEBI:70732) has role serotonergic antagonist (CHEBI:48279) |
| lurasidone hydrochloride (CHEBI:70732) is a hydrochloride (CHEBI:36807) |
| IUPAC Name |
|---|
| (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride |
| Synonyms | Source |
|---|---|
| SM 13496 | KEGG DRUG |
| lurasidone monohydrochloride | ChEBI |
| Lurasidone HCl | ChemIDplus |
| 4-(1,2-benzothiazol-3-yl)-1-{[(1R,2R)-2-{[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]methyl}cyclohexyl]methyl}piperazin-1-ium chloride | IUPAC |
| Brand Name | Source |
|---|---|
| Latuda | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| D04820 | KEGG DRUG |
| EP1652848 | Patent |
| Lurasidone_hydrochloride | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:14540570 | Reaxys |
| CAS:367514-88-3 | KEGG DRUG |
| CAS:367514-88-3 | ChemIDplus |
| Citations |
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