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CHEBI:177733 - Adaprolol

ChEBI IDCHEBI:177733
ChEBI NameAdaprolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO4
Net Charge0
Average Mass429.601
Monoisotopic Mass429.28791
SMILESCC(C)NCC(O)COc1ccc(CC(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H39NO4/c1-18(2)27-16-23(28)17-31-24-5-3-19(4-6-24)12-25(29)30-8-7-26-13-20-9-21(14-26)11-22(10-20)15-26/h3-6,18,20-23,27-28H,7-17H2,1-2H3
InChIKeyIPGLIOFIFLXLKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Adaprolol (CHEBI:177733) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
Manual XrefsDatabases
54735ChemSpider
Registry NumbersSources
CAS:101479-70-3ChemIDplus