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CHEBI:177609 - Tariquidar

Default Structure
ChEBI IDCHEBI:177609
ChEBI NameTariquidar
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H38N4O6
Net Charge0
Average Mass646.744
Monoisotopic Mass646.27913
SMILESCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2
InChIInChI=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)
InChIKeyLGGHDPFKSSRQNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
130650ChemSpider
D06008KEGG DRUG
DB06240DrugBank
R1HPDBeChem
Registry NumbersSources
CAS:206873-63-4ChemIDplus