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> Main
CHEBI:83530 - atenolol-desisopropyl
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ChEBI Ontology
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ChEBI Name
atenolol-desisopropyl
ChEBI ID
CHEBI:83530
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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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)
InChIKey
UWMXVJVTKRSOPW-UHFFFAOYSA-N
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
)
IUPAC Name
2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
Synonym
Source
4-(3-amino-2-hydroxypropoxy)phenylacetamide
ChEBI
Registry Number
Type
Source
5530849
Reaxys Registry Number
Reaxys
Last Modified
18 November 2014