CHEBI:177609 - Tariquidar

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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 Tariquidar
ChEBI ID CHEBI:177609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H38N4O6
Net Charge 0
Average Mass 646.744
Monoisotopic Mass 646.27913
InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChIKey LGGHDPFKSSRQNS-UHFFFAOYSA-N
SMILES O(C=1C=C2CN(CCC2=CC1OC)CCC3=CC=C(NC(=O)C=4C(NC(=O)C5=CC=6C(N=C5)=CC=CC6)=CC(OC)=C(OC)C4)C=C3)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Tariquidar (CHEBI:177609) is a benzamides (CHEBI:22702)
IUPAC Name
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
Manual Xrefs Databases
130650 ChemSpider
D06008 KEGG DRUG
DB06240 KEGG DRUG
R1H PDBeChem
View more database links
Registry Number Type Source
206873-63-4 CAS Registry Number ChemIDplus