CHEBI:31556 - esatenolol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name esatenolol
ChEBI ID CHEBI:31556
Definition The (S)-enantiomer of atenolol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H22N2O3
Net Charge 0
Average Mass 266.33610
Monoisotopic Mass 266.16304
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)/t12-/m0/s1
InChIKey METKIMKYRPQLGS-LBPRGKRZSA-N
SMILES CC(C)NC[C@H](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.
(via atenolol )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via atenolol )
sympatholytic agent
Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
(via atenolol )
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.
(via atenolol )
Application(s): 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.
(via atenolol )
sympatholytic agent
Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
(via atenolol )
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.
(via atenolol )
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
(via atenolol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing esatenolol (CHEBI:31556) has role β-adrenergic antagonist (CHEBI:35530)
esatenolol (CHEBI:31556) is a atenolol (CHEBI:2904)
IUPAC Name
2-[4-({(2S)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide
INN Source
esatenolol KEGG DRUG
Synonyms Sources
(-)-Atenolol ChemIDplus
(S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide ChemIDplus
(S)-Atenolol KEGG DRUG
2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide ChemIDplus
S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide ChemIDplus
Manual Xrefs Databases
4702 DrugCentral
D01471 KEGG DRUG
DB00335 DrugBank
LSM-5562 LINCS
View more database links
Registry Numbers Types Sources
4234251 Beilstein Registry Number Beilstein
93379-54-5 CAS Registry Number ChemIDplus
93379-54-5 CAS Registry Number KEGG DRUG
Last Modified
22 February 2017