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CHEBI:177808 - Alpertine

ChEBI IDCHEBI:177808
ChEBI NameAlpertine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31N3O4
Net Charge0
Average Mass437.540
Monoisotopic Mass437.23146
SMILESCCOC(=O)c1nc2cc(OC)c(OC)cc2c1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N3O4/c1-4-32-25(29)24-19(20-16-22(30-2)23(31-3)17-21(20)26-24)10-11-27-12-14-28(15-13-27)18-8-6-5-7-9-18/h5-9,16-17,26H,4,10-15H2,1-3H3
InChIKeyRXAVJRAUFOPBOO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Alpertine (CHEBI:177808) is a piperazines (CHEBI:26144)
IUPAC Name 
ethyl 5,6-dimethoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylate
Manual XrefsDatabases
145751ChemSpider
D02635KEGG DRUG
Registry NumbersSources
CAS:27076-46-6ChemIDplus