CHEBI:2904 - atenolol

ChEBI IDCHEBI:2904
ChEBI Nameatenolol
Stars
DefinitionAn ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H22N2O3
Net Charge0
Average Mass266.341
Monoisotopic Mass266.16304
SMILESCC(C)NCC(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)
InChIKeyMETKIMKYRPQLGS-UHFFFAOYSA-N
Wikipedia
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).
Biological Roles:
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.
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 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:
hypoglycemic agent  A drug which lowers the blood glucose level.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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.
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
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 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)
atenolol (CHEBI:2904) has role anti-arrhythmia drug (CHEBI:38070)
atenolol (CHEBI:2904) has role antidepressant (CHEBI:35469)
atenolol (CHEBI:2904) has role antihypertensive agent (CHEBI:35674)
atenolol (CHEBI:2904) has role antineoplastic agent (CHEBI:35610)
atenolol (CHEBI:2904) has role bone density conservation agent (CHEBI:50646)
atenolol (CHEBI:2904) has role cardiovascular drug (CHEBI:35554)
atenolol (CHEBI:2904) has role environmental contaminant (CHEBI:78298)
atenolol (CHEBI:2904) has role hypoglycemic agent (CHEBI:35526)
atenolol (CHEBI:2904) has role sympatholytic agent (CHEBI:66991)
atenolol (CHEBI:2904) has role xenobiotic (CHEBI:35703)
atenolol (CHEBI:2904) has role β-adrenergic antagonist (CHEBI:35530)
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 Relation(s)
(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  Source
atenololKEGG DRUG
atenololumChemIDplus
Synonyms  Source
1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanolNIST Chemistry WebBook
2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamideChemIDplus
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamideChemIDplus
C07AB03ChEMBL
ICI 66,082ChEMBL
ICI 66082ChEMBL
Brand Names  Source
AtenaminChEMBL
Atenix-100ChEMBL
Atenix-25ChEMBL
Atenix-50ChEMBL
Atenolol component of polycapChEMBL
Atenolol component of tenoreticChEMBL
Manual XrefsDatabases
255DrugCentral
2965VSDB
AtenololWikipedia
D00235KEGG DRUG
DB00335DrugBank
DE2007751Patent
HMDB0001924HMDB
LSM-4355LINCS
US3663607Patent
US3836671Patent
Registry NumbersSources
Gmelin:2179742Gmelin
Reaxys:2739235Reaxys
CAS:29122-68-7KEGG DRUG
CAS:29122-68-7NIST Chemistry WebBook
CAS:29122-68-7ChemIDplus
CAS:29122-68-7DrugBank
Citations