CHEBI:70732 - lurasidone hydrochloride

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ChEBI Name lurasidone hydrochloride
ChEBI ID CHEBI:70732
Definition A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H37ClN4O2S
Net Charge 0
Average Mass 529.13700
Monoisotopic Mass 528.23258
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
SMILES Cl.[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc3ccccc13)C2=O
Roles Classification
Biological Role(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
Application(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
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.
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ChEBI Ontology
Outgoing 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 Sources
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
Lurasidone HCl ChemIDplus
lurasidone monohydrochloride ChEBI
SM 13496 KEGG DRUG
Brand Name Source
Latuda KEGG DRUG
Manual Xrefs Databases
D04820 KEGG DRUG
EP1652848 Patent
Lurasidone_hydrochloride Wikipedia
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Registry Numbers Types Sources
14540570 Reaxys Registry Number Reaxys
367514-88-3 CAS Registry Number KEGG DRUG
367514-88-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21372761 PubMed citation Europe PMC
21446639 PubMed citation Europe PMC
21555300 PubMed citation Europe PMC
21935296 PubMed citation Europe PMC
22072817 PubMed citation Europe PMC
22545643 PubMed citation Europe PMC
22778856 PubMed citation Europe PMC
22828971 PubMed citation Europe PMC
Last Modified
15 November 2012