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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | quetiapine | |
| Synonyms |
quetiapina 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol quetiapinum quetiapine Quetiapine 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8707 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB01224 Drug_Central:2337 Patent:US4879288 LINCS:LSM-3543 Wikipedia:Quetiapine CAS:111974-69-7 KEGG:D08456 KEGG:C07397 Patent:EP240228
|
|
| formula |
C21H25N3O2S
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37887 http://purl.obolibrary.org/obo/CHEBI_37956 http://purl.obolibrary.org/obo/CHEBI_48561 |
|
| has_exact_synonym |
Quetiapine 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
quetiapina 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol quetiapinum quetiapine
|
|
| 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 |
383.16675
|
|
| notation |
CHEBI:8707
|
|
| prefLabel |
quetiapine
|
|
| smiles |
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46845 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 |
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