CHEBI:188278 - Norquetiapine

ChEBI IDCHEBI:188278
ChEBI NameNorquetiapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3S
Net Charge0
Average Mass295.411
Monoisotopic Mass295.11432
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2
InChIInChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2
InChIKeyJLOAJISUHPIQOX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Norquetiapine (CHEBI:188278) is a dibenzothiazepine (CHEBI:39268)
IUPAC Name 
6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
Manual XrefsDatabases
9544835ChemSpider
Registry NumbersSources
CAS:5747-48-8ChemIDplus