(±)-Timolol
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(±)-Timolol
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CAS No:
29023-48-1
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Formula:
C13H24N4O3S
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Chemical Name:
(±)-Timolol
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Synonyms:
2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-;2-Propanol,1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-;1,2,5-Thiadiazole,2-propanol deriv.;1-[(1,1-Dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol;3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole;Racemic timolol;(±)-Timolol;47148-57-2
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CAS No:
Description
Solid
Timolol is 1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(-) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. It is a member of thiadiazoles and a member of morpholines. It derives from a hydride of a 1,2,5-thiadiazole.
Characteristics
108 Ų
1.2
1.224±0.06 g/cm3
71.5-72.5 °C @ Solvent: Acetone, Diethyl ether
487.2±45.0 °C(Predicted)
2.69e-01 g/L
13.38±0.20
(±)-Timolol Use and Manufacturing
Antihypertensive; antiarrhythmic (class II); antianginal; antiglaucoma agent
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-: INACTIVE
Computed Properties
Molecular Weight:316.42
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:316.15691181
Monoisotopic Mass:316.15691181
Topological Polar Surface Area:108
Heavy Atom Count:21
Complexity:310
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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