CHEBI:83530 - atenolol-desisopropyl

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ChEBI Name atenolol-desisopropyl
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N2O3
Net Charge 0
Average Mass 224.25630
Monoisotopic Mass 224.11609
InChI InChI=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)
SMILES NCC(O)COc1ccc(CC(N)=O)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 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)
Synonym Source
4-(3-amino-2-hydroxypropoxy)phenylacetamide ChEBI
Registry Number Type Source
5530849 Reaxys Registry Number Reaxys
Last Modified
18 November 2014