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CHEBI:177469 - perphenazine decanoate

ChEBI IDCHEBI:177469
ChEBI Nameperphenazine decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44ClN3O2S
Net Charge0
Average Mass558.232
Monoisotopic Mass557.28428
SMILESCCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C31H44ClN3O2S/c1-2-3-4-5-6-7-8-14-31(36)37-24-23-34-21-19-33(20-22-34)17-11-18-35-27-12-9-10-13-29(27)38-30-16-15-26(32)25-28(30)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3
InChIKeyWAVWONFNDBPAGA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
perphenazine decanoate (CHEBI:177469) is a phenothiazines (CHEBI:38093)
IUPAC Name 
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl decanoate
Manual XrefsDatabases
56603ChemSpider
D08341KEGG DRUG
Registry NumbersSources
CAS:61120-81-8ChemIDplus