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CHEBI:31424 - Clotiapine

ChEBI IDCHEBI:31424
ChEBI NameClotiapine
Stars
Secondary ChEBI IDCHEBI:108591
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H18ClN3S
Net Charge0
Average Mass343.883
Monoisotopic Mass343.09100
SMILESCN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKeyKAAZGXDPUNNEFN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Clotiapine (CHEBI:31424) is a dibenzothiazepine (CHEBI:39268)
Synonyms  Source
ClotiapineKEGG COMPOUND
ClothiapineKEGG COMPOUND
clothiapinDrugCentral
clothiapineDrugCentral
entumineDrugCentral
Manual XrefsDatabases
D01597KEGG DRUG
LSM-19970LINCS
717DrugCentral
Registry NumbersSources
CAS:2058-52-8KEGG COMPOUND
CAS:2058-52-8DrugCentral