metipranolol (CHEBI:6897)

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CHEBI:6897 - metipranolol

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ChEBI ID	CHEBI:6897
ChEBI Name	metipranolol
Stars
Definition	3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.
Secondary ChEBI ID	CHEBI:355221
Last Modified	22 February 2017
Downloads	Molfile

Formula	C17H27NO4
Net Charge	0
Average Mass	309.406
Monoisotopic Mass	309.19401
SMILES	CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C
InChI	InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
InChIKey	BQIPXWYNLPYNHW-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	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:	antiglaucoma drug Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. 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. 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)
	metipranolol (CHEBI:6897) has role anti-arrhythmia drug (CHEBI:38070)
	metipranolol (CHEBI:6897) has role antiglaucoma drug (CHEBI:39456)
	metipranolol (CHEBI:6897) has role antihypertensive agent (CHEBI:35674)
	metipranolol (CHEBI:6897) has role β-adrenergic antagonist (CHEBI:35530)
	metipranolol (CHEBI:6897) is a acetate ester (CHEBI:47622)
	metipranolol (CHEBI:6897) is a aromatic ether (CHEBI:35618)
	metipranolol (CHEBI:6897) is a propanolamine (CHEBI:35533)
	metipranolol (CHEBI:6897) is a secondary amino compound (CHEBI:50995)

IUPAC Name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl acetate

INNs	Source
metipranolol	ChemIDplus
metipranololum	ChemIDplus

Synonyms	Source
Metipranolol	KEGG COMPOUND
Acetic acid 4-(2-hydroxy-3-isopropylamino-propoxy)-2,3,6-trimethyl-phenyl ester	ChEMBL
(±)-metipranolol	ChEBI

Manual Xrefs	Databases
C07915	KEGG COMPOUND
D02374	KEGG DRUG
DB01214	DrugBank
Metipranolol	Wikipedia
1779	DrugCentral

Registry Numbers	Sources
Reaxys:2152010	Reaxys
CAS:22664-55-7	KEGG COMPOUND
CAS:22664-55-7	ChemIDplus