Molecular Identity
Timolol
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
PubChem CID: 33624
(S)-timolol (anhydrous) is the (S)-() (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and an antiglaucoma drug. It is a conjugate base of a (S)-timolol(1+). It is an enantiomer of a (R)-timolol.
2D Structure
Properties
C13H24N4O3S
Molecular Formula
316.42
Molecular Weight
g/mol
316.1569
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
310
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)OIsomeric SMILES
SMILES: CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)OSynonyms(20)
timolol26839-75-8BetimolTimololumTimolol anhydrous(-)-3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazoleS-(-)-3-(3-tert-Butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole(S)-1-(1,1-(Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol5JKY92S7BR(S)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-olCHEBI:9599BetimCHEBI:60787817W3C6175CHEBI:39465
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Timolol
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