Molecular Identity
Timolol Hemihydrate
bis((2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol);hydrate
PubChem CID: 62933
(S)-timolol hemihydrate is a hydrate, which is the hemihydrate form of the (S)-() (more active) enantiomer of timolol. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and an antiglaucoma drug. It contains a (S)-timolol (anhydrous).
2D Structure
Properties
C26H50N8O7S2
Molecular Formula
650.90
Molecular Weight
g/mol
650.3244
Exact Mass
Da
217
TPSA
May have limited oral absorption
5
H-Bond Donors
17
H-Bond Acceptors
310
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.OIsomeric SMILES
SMILES: CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.OSynonyms(20)
Timolol hemihydrate91524-16-2DTXSID70238611RefChem:933078DTXCID20161102(S)-timolol hemihydrateTimolol (USAN)Timolol [USAN]Betimol (TN)(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydratetimolol.0.5H2OTIMOLOL [VANDF]TIMOLOL [EMA EPAR]SCHEMBL345440TIMOLOL [ORANGE BOOK]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Timolol Hemihydrate
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