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CHEBI:3082 - betaxolol

ChEBI IDCHEBI:3082
ChEBI Namebetaxolol
Stars
DefinitionA propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective β1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure.
Secondary ChEBI IDCHEBI:101354
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H29NO3
Net Charge0
Average Mass307.434
Monoisotopic Mass307.21474
SMILESCC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
InChIInChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
InChIKeyNWIUTZDMDHAVTP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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)
betaxolol (CHEBI:3082) has role antihypertensive agent (CHEBI:35674)
betaxolol (CHEBI:3082) has role sympatholytic agent (CHEBI:66991)
betaxolol (CHEBI:3082) has role β-adrenergic antagonist (CHEBI:35530)
betaxolol (CHEBI:3082) is a propanolamine (CHEBI:35533)
Incoming Relation(s)
betaxolol hydrochloride (CHEBI:643228) has part betaxolol (CHEBI:3082)
(R)-betaxolol (CHEBI:59251) is a betaxolol (CHEBI:3082)
(S)-betaxolol (CHEBI:59254) is a betaxolol (CHEBI:3082)
IUPAC Name 
1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol
INNs  Source
betaxololChemIDplus
betaxololumChemIDplus
betaxololWHO MedNet
bétaxololWHO MedNet
Synonyms  Source
1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanolChemIDplus
1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanolChEBI
Manual XrefsDatabases
C06849KEGG COMPOUND
D07526KEGG DRUG
DB00195DrugBank
DE2649605Patent
US4252984Patent
BetaxololWikipedia
HMDB0014341HMDB
LSM-1255LINCS
356DrugCentral
Registry NumbersSources
Reaxys:1991268Reaxys
CAS:63659-18-7KEGG COMPOUND
CAS:63659-18-7ChemIDplus
Citations