loading...| Preferred Name |
iloperidone |
|
| Synonyms |
Fanapta Fanapt 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone iloperidonum iloperidone Zomaril 4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone iloperidona 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone |
|
| Definitions |
A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_65173 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22453868 PMID:22161738 Wikipedia:Iloperidone PMID:21474903 PMID:21600386 PMID:22465688 Reaxys:7233425 Drug_Central:3294 PMID:21289324 LINCS:LSM-5598 CAS:133454-47-4 PMID:22617084 KEGG:D02666 PMID:22217439 |
|
| definition |
A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia. |
|
| formula |
C24H27FN2O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_48561 |
|
| has_exact_synonym |
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Fanapta Fanapt 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone iloperidonum iloperidone Zomaril 4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone iloperidona |
|
| id |
CHEBI:65173 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 |
|
| inchikey |
XMXHEBAFVSFQEX-UHFFFAOYSA-N |
|
| label |
iloperidone |
|
| mass |
426.48060 |
|
| monoisotopicmass |
426.19549 |
|
| notation |
CHEBI:65173 |
|
| prefLabel |
iloperidone |
|
| smiles |
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_63534 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51545 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_76224 http://purl.obolibrary.org/obo/CHEBI_51867 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_63534 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51545 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_76224 http://purl.obolibrary.org/obo/CHEBI_51867 |