loading...| Preferred Name |
lurasidone |
|
| 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 lurasidonum lurasidona lurasidone |
|
| Definitions |
An N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_70735 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22776634 PMID:22900950 PMID:22332980 CAS:367514-87-2 PMID:22868411 PMID:23001538 PMID:22849428 Patent:EP1652848 Patent:US2012115879 Wikipedia:Lurasidone PMID:21474903 PMID:22364325 Patent:US2011263848 Drug_Central:4168 PMID:22903391 PMID:22675261 PMID:19780705 PMID:22072817 PMID:21349227 PMID:22395527 PMID:22227609 PMID:22559286 PMID:22967786 PMID:22545643 PMID:22217440 PMID:22828971 PMID:22415605 Patent:EP1637530 Patent:US2011263847 PMID:22929996 Reaxys:11182976 PMID:22570547 PMID:21838595 PMID:22739469 |
|
| definition |
An N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. |
|
| formula |
C28H36N4O2S |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_37887 http://purl.obolibrary.org/obo/CHEBI_48561 |
|
| 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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
lurasidonum lurasidona lurasidone |
|
| id |
CHEBI:70735 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H36N4O2S/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/t18-,19+,20-,21-,24+,25-/m0/s1 |
|
| inchikey |
PQXKDMSYBGKCJA-CVTJIBDQSA-N |
|
| is conjugate base of | ||
| label |
lurasidone |
|
| mass |
492.67600 |
|
| monoisotopicmass |
492.25590 |
|
| notation |
CHEBI:70735 |
|
| prefLabel |
lurasidone |
|
| smiles |
[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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_55505 http://purl.obolibrary.org/obo/CHEBI_46848 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_55505 http://purl.obolibrary.org/obo/CHEBI_46848 |