Timolol hemihydrateProduct ingredient for Timolol
- Name
- Timolol hemihydrate
- Drug Entry
- Timolol
Timolol is a nonselective beta-adrenergic antagonist given in an eye drop solution to reduce intraocular pressure, or pressure in the eyes.16 It is also used in tablet form as a drug to treat hypertension.17 Timolol was first approved by the FDA in 1978.16 This drug is marketed by several manufacturers 20 and is an effective agent for the management of conditions such as open-angle glaucoma and hypertension.
- Accession Number
- DBSALT000990
- Structure
Structure for Timolol hemihydrate (DBSALT000990)
- Synonyms
- (S)-timolol hemihydrate
- UNII
- 817W3C6175
- CAS Number
- 91524-16-2
- Weight
- Average: 650.86
Monoisotopic: 650.32438833 - Chemical Formula
- C26H50N8O7S2
- InChI Key
- TWBNMYSKRDRHAT-RCWTXCDDSA-N
- InChI
- InChI=1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1
- IUPAC Name
- bis((2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol) hydrate
- SMILES
- O.CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1.CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.269 mg/mL ALOGPS logP 1.44 ALOGPS logP 1.34 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 14.08 Chemaxon pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.74 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 83.92 m3·mol-1 Chemaxon Polarizability 34.04 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon