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CHEBI:177845 - terikalant

ChEBI IDCHEBI:177845
ChEBI Nameterikalant
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO3
Net Charge0
Average Mass381.516
Monoisotopic Mass381.23039
SMILESCOc1ccc(C2CCN(CC[C@H]3CCOc4ccccc43)CC2)cc1OC
InChIInChI=1S/C24H31NO3/c1-26-23-8-7-20(17-24(23)27-2)18-9-13-25(14-10-18)15-11-19-12-16-28-22-6-4-3-5-21(19)22/h3-8,17-19H,9-16H2,1-2H3/t19-/m0/s1
InChIKeyUIZPEXQHMIZQPQ-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
terikalant (CHEBI:177845) is a piperidines (CHEBI:26151)
IUPAC Name 
1-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]ethyl]-4-(3,4-dimethoxyphenyl)piperidine
Manual XrefsDatabases
59346ChemSpider
D09757KEGG DRUG
Registry NumbersSources
CAS:121277-96-1ChemIDplus