CHEBI:177690 - Zuclopenthixol decanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Zuclopenthixol decanoate
ChEBI ID CHEBI:177690
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H43ClN2O2S
Net Charge 0
Average Mass 555.220
Monoisotopic Mass 554.27338
InChI InChI=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-
InChIKey QRUAPADZILXULG-WKIKZPBSSA-N
SMILES ClC1=CC=2/C(=C\CCN3CCN(CC3)CCOC(=O)CCCCCCCCC)/C=4C(SC2C=C1)=CC=CC4
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4952942 ChemSpider
D08692 KEGG DRUG
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Registry Number Type Source
64053-00-5 CAS Registry Number ChemIDplus