loading...| Preferred Name |
lurasidone hydrochloride |
|
| Synonyms |
(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 lurasidone monohydrochloride 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 Lurasidone HCl Latuda SM 13496 |
|
| Definitions |
A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_70732 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21555300 PMID:21446639 Patent:EP1652848 PMID:22828971 PMID:21935296 Reaxys:14540570 PMID:22072817 PMID:21372761 PMID:22545643 PMID:22778856 KEGG:D04820 CAS:367514-88-3 Wikipedia:Lurasidone_hydrochloride |
|
| definition |
A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia. |
|
| formula |
C28H37ClN4O2S |
|
| has part | ||
| has_exact_synonym |
(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
lurasidone monohydrochloride 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 Lurasidone HCl Latuda SM 13496 |
|
| id |
CHEBI:70732 |
|
| in_subset | ||
| 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 |
|
| label |
lurasidone hydrochloride |
|
| mass |
529.13700 |
|
| monoisotopicmass |
528.23258 |
|
| notation |
CHEBI:70732 |
|
| prefLabel |
lurasidone hydrochloride |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_37887 http://purl.obolibrary.org/obo/CHEBI_48561 |
|
| 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 |
|
| subClassOf |