loading...| Preferred Name |
quetiapine |
| Synonyms |
quetiapine 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol quetiapinum 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol quetiapina Quetiapine |
| ID |
http://purl.obolibrary.org/obo/CHEBI_8707 |
| charge |
0 |
| database_cross_reference |
DrugBank:DB01224 Patent:EP240228 CAS:111974-69-7 LINCS:LSM-3543 KEGG:D08456 Patent:US4879288 Wikipedia:Quetiapine Drug_Central:2337 KEGG:C07397 |
| formula |
C21H25N3O2S |
| has role |
http://purl.obolibrary.org/obo/CHEBI_37956 http://purl.obolibrary.org/obo/CHEBI_48279 http://purl.obolibrary.org/obo/CHEBI_65191 |
| has_exact_synonym |
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol Quetiapine |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
quetiapine quetiapinum 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol quetiapina |
| id |
CHEBI:8707 |
| in_subset | |
| inchi |
InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 |
| inchikey |
URKOMYMAXPYINW-UHFFFAOYSA-N |
| label |
quetiapine |
| mass |
383.50700 |
| monoisotopicmass |
383.167 |
| notation |
CHEBI:8707 |
| prefLabel |
quetiapine |
| smiles |
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46848 |