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CHEBI:177690 - Zuclopenthixol decanoate

ChEBI IDCHEBI:177690
ChEBI NameZuclopenthixol decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43ClN2O2S
Net Charge0
Average Mass555.228
Monoisotopic Mass554.27338
SMILESCCCCCCCCCC(=O)OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-
InChIKeyQRUAPADZILXULG-WKIKZPBSSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Zuclopenthixol decanoate (CHEBI:177690) is a thioxanthenes (CHEBI:50930)
IUPAC Name 
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate
Manual XrefsDatabases
4952942ChemSpider
D08692KEGG DRUG
Registry NumbersSources
CAS:64053-00-5ChemIDplus