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CHEBI:8707 - quetiapine

ChEBI IDCHEBI:8707
ChEBI Namequetiapine
Stars
Last Modified22 February 2017
DownloadsMolfile

FormulaC21H25N3O2S
Net Charge0
Average Mass383.517
Monoisotopic Mass383.16675
SMILESOCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChIInChI=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
InChIKeyURKOMYMAXPYINW-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
INNs  Source
quetiapineChEBI
quétiapine  frChEBI
quetiapina  esChEBI
quetiapinum  laChEBI
Synonyms  Source
QuetiapineKEGG COMPOUND
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanolKEGG COMPOUND
Manual XrefsDatabases
C07397KEGG COMPOUND
DB01224DrugBank
US4879288Patent
EP240228Patent
QuetiapineWikipedia
D08456KEGG DRUG
LSM-3543LINCS
2337DrugCentral
Registry NumbersSources
CAS:111974-69-7ChemIDplus