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CHEBI:31556 - esatenolol

ChEBI IDCHEBI:31556
ChEBI Nameesatenolol
Stars
DefinitionThe (S)-enantiomer of atenolol.
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H22N2O3
Net Charge0
Average Mass266.341
Monoisotopic Mass266.16304
SMILESCC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1
InChIInChI=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
InChIKeyMETKIMKYRPQLGS-LBPRGKRZSA-N
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
sympatholytic agent  Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
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.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Applications:
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
sympatholytic agent  Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS).
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.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
ChEBI Ontology
Outgoing Relation(s)
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
esatenololKEGG DRUG
Synonyms  Source
(S)-AtenololKEGG DRUG
(-)-AtenololChemIDplus
(S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamideChemIDplus
2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamideChemIDplus
S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamideChemIDplus
Manual XrefsDatabases
D01471KEGG DRUG
DB00335DrugBank
LSM-5562LINCS
4702DrugCentral
Registry NumbersSources
Beilstein:4234251Beilstein
CAS:93379-54-5KEGG DRUG
CAS:93379-54-5ChemIDplus