CHEBI:2904 - atenolol

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ChEBI Name atenolol
ChEBI ID CHEBI:2904
Definition An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H22N2O3
Net Charge 0
Average Mass 266.33610
Monoisotopic Mass 266.163
InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKey METKIMKYRPQLGS-UHFFFAOYSA-N
SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): sympatholytic agent
Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): sympatholytic agent
Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
anti-arrhythmia drug
A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing atenolol (CHEBI:2904) has role β-adrenergic antagonist (CHEBI:35530)
atenolol (CHEBI:2904) has role anti-arrhythmia drug (CHEBI:38070)
atenolol (CHEBI:2904) has role antihypertensive agent (CHEBI:35674)
atenolol (CHEBI:2904) has role environmental contaminant (CHEBI:78298)
atenolol (CHEBI:2904) has role sympatholytic agent (CHEBI:66991)
atenolol (CHEBI:2904) has role xenobiotic (CHEBI:35703)
atenolol (CHEBI:2904) is a ethanolamines (CHEBI:23981)
atenolol (CHEBI:2904) is a monocarboxylic acid amide (CHEBI:29347)
atenolol (CHEBI:2904) is a propanolamine (CHEBI:35533)
Incoming (R)-atenolol (CHEBI:55352) is a atenolol (CHEBI:2904)
esatenolol (CHEBI:31556) is a atenolol (CHEBI:2904)
IUPAC Name
2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
INNs Sources
atenolol KEGG DRUG
atenololum ChemIDplus
Synonyms Sources
1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol NIST Chemistry WebBook
2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide ChemIDplus
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide ChemIDplus
Manual Xrefs Databases
255 DrugCentral
2965 VSDB
Atenolol Wikipedia
D00235 KEGG DRUG
DB00335 DrugBank
DE2007751 Patent
HMDB0001924 HMDB
LSM-4355 LINCS
US3663607 Patent
US3836671 Patent
View more database links
Registry Numbers Types Sources
2179742 Gmelin Registry Number Gmelin
2739235 Beilstein Registry Number Beilstein
2739235 Reaxys Registry Number Reaxys
29122-68-7 CAS Registry Number ChemIDplus
29122-68-7 CAS Registry Number KEGG DRUG
29122-68-7 CAS Registry Number NIST Chemistry WebBook
29122-68-7 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
23581644 PubMed citation Europe PMC
9813739 PubMed citation Europe PMC
Last Modified
22 February 2017