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CHEBI:177468 - pentiapine

ChEBI IDCHEBI:177468
ChEBI Namepentiapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17N5S
Net Charge0
Average Mass299.403
Monoisotopic Mass299.12047
SMILESCN1CCN(C2=Nc3ccccc3Sc3nccn32)CC1
InChIInChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
InChIKeyFACMWMBWGSPRKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
pentiapine (CHEBI:177468) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Manual XrefsDatabases
49448ChemSpider
Registry NumbersSources
CAS:81382-51-6ChemIDplus