CHEBI:6904 - metoprolol

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ChEBI Name metoprolol
ChEBI ID CHEBI:6904
Definition A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H25NO3
Net Charge 0
Average Mass 267.36394
Monoisotopic Mass 267.183
InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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 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.
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.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing metoprolol (CHEBI:6904) has role β-adrenergic antagonist (CHEBI:35530)
metoprolol (CHEBI:6904) has role antihypertensive agent (CHEBI:35674)
metoprolol (CHEBI:6904) has role environmental contaminant (CHEBI:78298)
metoprolol (CHEBI:6904) has role xenobiotic (CHEBI:35703)
metoprolol (CHEBI:6904) is a aromatic ether (CHEBI:35618)
metoprolol (CHEBI:6904) is a propanolamine (CHEBI:35533)
metoprolol (CHEBI:6904) is a secondary alcohol (CHEBI:35681)
metoprolol (CHEBI:6904) is a secondary amino compound (CHEBI:50995)
IUPAC Name
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Synonyms Sources
(RS)-Metoprolol ChemIDplus
1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol ChEBI
Metoprolol KEGG COMPOUND
Metoprolol KEGG DRUG
Database Links Databases
1786 DrugCentral
C07202 KEGG COMPOUND
D02358 KEGG DRUG
DB00264 DrugBank
HMDB0001932 HMDB
LSM-1259 LINCS
Metoprolol Wikipedia
View more database links
Registry Numbers Types Sources
1117585 Reaxys Registry Number Reaxys
37350-58-6 CAS Registry Number ChemIDplus
51384-51-1 CAS Registry Number KEGG COMPOUND
51384-51-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15140634 PubMed citation Europe PMC
15797646 PubMed citation Europe PMC
24025984 PubMed citation Europe PMC
Last Modified
22 February 2017