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CHEBI:83530 - atenolol-desisopropyl

ChEBI IDCHEBI:83530
ChEBI Nameatenolol-desisopropyl
Stars
DefinitionA member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol.
Last Modified18 November 2014
DownloadsMolfile
FormulaC11H16N2O3
Net Charge0
Average Mass224.260
Monoisotopic Mass224.11609
SMILESNCC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)
InChIKeyUWMXVJVTKRSOPW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
atenolol-desisopropyl (CHEBI:83530) has role drug metabolite (CHEBI:49103)
atenolol-desisopropyl (CHEBI:83530) has role marine xenobiotic metabolite (CHEBI:83399)
atenolol-desisopropyl (CHEBI:83530) is a aromatic ether (CHEBI:35618)
atenolol-desisopropyl (CHEBI:83530) is a ethanolamines (CHEBI:23981)
atenolol-desisopropyl (CHEBI:83530) is a monocarboxylic acid amide (CHEBI:29347)
atenolol-desisopropyl (CHEBI:83530) is a primary amino compound (CHEBI:50994)
atenolol-desisopropyl (CHEBI:83530) is a propanolamine (CHEBI:35533)
IUPAC Name 
2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
Synonym  Source
4-(3-amino-2-hydroxypropoxy)phenylacetamideChEBI
Registry NumbersSources
Reaxys:5530849Reaxys