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CHEBI:9599 - (S)-timolol (anhydrous)
| Formula | C13H24N4O3S |
| Net Charge | 0 |
| Average Mass | 316.427 |
| Monoisotopic Mass | 316.15691 |
| SMILES | CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |
| InChI | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey | BLJRIMJGRPQVNF-JTQLQIEISA-N |
| Wikipedia |
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| Roles Classification |
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| 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 |
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| Outgoing Relation(s) |
| (S)-timolol (anhydrous) (CHEBI:9599) has role anti-arrhythmia drug (CHEBI:38070) |
| (S)-timolol (anhydrous) (CHEBI:9599) has role antiglaucoma drug (CHEBI:39456) |
| (S)-timolol (anhydrous) (CHEBI:9599) has role antihypertensive agent (CHEBI:35674) |
| (S)-timolol (anhydrous) (CHEBI:9599) has role β-adrenergic antagonist (CHEBI:35530) |
| (S)-timolol (anhydrous) (CHEBI:9599) is a timolol (CHEBI:39465) |
| (S)-timolol (anhydrous) (CHEBI:9599) is conjugate base of (S)-timolol(1+) (CHEBI:188157) |
| (S)-timolol (anhydrous) (CHEBI:9599) is enantiomer of (R)-timolol (CHEBI:39466) |
| Incoming Relation(s) |
| (S)-timolol hemihydrate (CHEBI:60787) has part (S)-timolol (anhydrous) (CHEBI:9599) |
| (S)-timolol maleate (CHEBI:9600) has part (S)-timolol (anhydrous) (CHEBI:9599) |
| (S)-timolol(1+) (CHEBI:188157) is conjugate acid of (S)-timolol (anhydrous) (CHEBI:9599) |
| (R)-timolol (CHEBI:39466) is enantiomer of (S)-timolol (anhydrous) (CHEBI:9599) |
| IUPAC Name |
|---|
| (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
| Synonyms | Source |
|---|---|
| Timolol | KEGG COMPOUND |
| (−)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole | ChemIDplus |
| (S)-1-(1,1-(dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol | ChemIDplus |
| S-(−)-3-(3-tert-butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole | ChemIDplus |
| (S)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol | ChemIDplus |
| (2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol | ChemIDplus |
| Citations |
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