Timolol maleateProduct ingredient for Timolol

Name
Timolol maleate
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
DBSALT000989
Structure
Synonyms
(S)-timolol hydrogen maleate / (S)-timolol maleate / timolol hydrogen maleate
UNII
P8Y54F701R
CAS Number
26921-17-5
Weight
Average: 432.49
Monoisotopic: 432.167870432
Chemical Formula
C17H28N4O7S
InChI Key
WLRMANUAADYWEA-NWASOUNVSA-N
InChI
InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1
IUPAC Name
(2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol; (2Z)-but-2-enedioic acid
SMILES
OC(=O)\C=C/C(O)=O.CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1
KEGG Drug
D00603
ChemSpider
4444515
ChEBI
9600
ChEMBL
CHEMBL1200870
Wikipedia
Timolol
Predicted Properties
PropertyValueSource
Water Solubility0.269 mg/mLALOGPS
logP1.44ALOGPS
logP1.34Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)14.08Chemaxon
pKa (Strongest Basic)9.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area79.74 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity83.92 m3·mol-1Chemaxon
Polarizability34.04 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon