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CHEBI:177464 - Aripiprazole cavoxil

ChEBI IDCHEBI:177464
ChEBI NameAripiprazole cavoxil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39Cl2N3O4
Net Charge0
Average Mass576.565
Monoisotopic Mass575.23176
SMILESCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
InChIInChI=1S/C30H39Cl2N3O4/c1-2-3-4-10-29(37)39-22-35-27-21-24(13-11-23(27)12-14-28(35)36)38-20-6-5-15-33-16-18-34(19-17-33)26-9-7-8-25(31)30(26)32/h7-9,11,13,21H,2-6,10,12,14-20,22H2,1H3
InChIKeySTDYTJDGBXCCRG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Aripiprazole cavoxil (CHEBI:177464) is a piperazines (CHEBI:26144)
IUPAC Name 
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl hexanoate
Manual XrefsDatabases
28651811ChemSpider
D10355KEGG DRUG
Registry NumbersSources
CAS:1259305-26-4ChemIDplus