CHEBI:9600 - (S)-timolol maleate

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ChEBI Name (S)-timolol maleate
ChEBI ID CHEBI:9600
ChEBI ASCII Name (S)-timolol maleate
Definition The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H28N4O7S
Net Charge 0
Average Mass 432.49200
Monoisotopic Mass 432.16787
InChI InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1
InChIKey WLRMANUAADYWEA-NWASOUNVSA-N
SMILES OC(=O)\C=C/C(O)=O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Roles Classification
Biological Role(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.
Application(s): 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 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.
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.
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ChEBI Ontology
Outgoing (S)-timolol maleate (CHEBI:9600) has part (S)-timolol (anhydrous) (CHEBI:9599)
(S)-timolol maleate (CHEBI:9600) has role β-adrenergic antagonist (CHEBI:35530)
(S)-timolol maleate (CHEBI:9600) has role anti-arrhythmia drug (CHEBI:38070)
(S)-timolol maleate (CHEBI:9600) has role antiglaucoma drug (CHEBI:39456)
(S)-timolol maleate (CHEBI:9600) has role antihypertensive agent (CHEBI:35674)
(S)-timolol maleate (CHEBI:9600) is a maleate salt (CHEBI:50221)
IUPAC Name
(2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol (2Z)-but-2-enedioate
Synonyms Sources
(−)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate ChemIDplus
(S)-timolol hydrogen maleate ChemIDplus
timolol hydrogen maleate ChemIDplus
timolol maleate ChemIDplus
Brand Names Sources
Blocadren KEGG DRUG
Timoptic DrugBank
Manual Xrefs Databases
D00603 KEGG DRUG
DB00373 DrugBank
View more database links
Registry Numbers Types Sources
26921-17-5 CAS Registry Number KEGG DRUG
26921-17-5 CAS Registry Number ChemIDplus
6049992 Reaxys Registry Number Reaxys
Last Modified
07 December 2010