CHEBI:177845 - terikalant

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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 terikalant
ChEBI ID CHEBI:177845
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31NO3
Net Charge 0
Average Mass 381.516
Monoisotopic Mass 381.23039
InChI InChI=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
InChIKey UIZPEXQHMIZQPQ-IBGZPJMESA-N
SMILES O1CC[C@H](CCN2CCC(CC2)C3=CC(OC)=C(OC)C=C3)C=4C1=CC=CC4
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
59346 ChemSpider
D09757 KEGG DRUG
View more database links
Registry Number Type Source
121277-96-1 CAS Registry Number ChemIDplus