CHEBI:177607 - Taranabant

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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 Taranabant
ChEBI ID CHEBI:177607
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H25ClF3N3O2
Net Charge 0
Average Mass 515.960
Monoisotopic Mass 515.15874
InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
InChIKey QLYKJCMUNUWAGO-GAJHUEQPSA-N
SMILES ClC1=CC=C(C[C@H]([C@@H](NC(=O)C(OC2=NC=C(C=C2)C(F)(F)F)(C)C)C)C=3C=C(C=CC3)C#N)C=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Taranabant (CHEBI:177607) is a stilbenoid (CHEBI:26776)
IUPAC Name
N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(triluoromethyl)pyridin-2-yl]oxypropanamide
Manual Xrefs Databases
7DY PDBeChem
9401143 ChemSpider
D09009 KEGG DRUG
DB06624 KEGG DRUG
LSM-45803 LINCS
View more database links
Registry Number Type Source
701977-09-5 CAS Registry Number ChemIDplus