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CHEBI:9600 - (S)-timolol maleate
| Formula | C13H24N4O3S.C4H4O4 |
| Net Charge | 0 |
| Average Mass | 432.499 |
| Monoisotopic Mass | 432.16787 |
| SMILES | CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O |
| 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 |
| Roles Classification |
|---|
| 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) |
| (S)-timolol maleate (CHEBI:9600) has part (S)-timolol (anhydrous) (CHEBI:9599) |
| (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) has role β-adrenergic antagonist (CHEBI:35530) |
| (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 | Source |
|---|---|
| timolol maleate | ChemIDplus |
| (−)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate | ChemIDplus |
| timolol hydrogen maleate | ChemIDplus |
| (S)-timolol hydrogen maleate | ChemIDplus |
| Brand Names | Source |
|---|---|
| Timoptic | DrugBank |
| Blocadren | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6049992 | Reaxys |
| CAS:26921-17-5 | ChemIDplus |
| CAS:26921-17-5 | KEGG DRUG |