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Timolol Maleate

CAT: 0013-GTR19153845-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19153845-01Size:1 ml x 10 mM (in DMSO)
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Description
(S) -Timolol maleate, is a potent non-selective β-adrenergic receptor antagonist (Ki values are 1.97 and 2.0 nM for β1 and β2 receptor subtypes respectively) .
CAS Number
26921-17-5
Field of Research
Pharmacology & Drug Discovery
Smiles
C1 (=NSN=C1OC[C@@H] (O) CNC (C) (C) C) N1CCOCC1.O=C (O) /C=C\C (O) =O
Molecular Formula
C17H28N4O7S
Molecular Weight
432.492
Notes
For research use only.

Chemical Information

Timolol Maleate

(S)-timolol maleate is the maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid. 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).

CAS Number26921-17-5
PubChem CID5281056
IUPAC Name(Z)-but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Molecular FormulaC17H28N4O7S
Molecular Weight432.5
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity429
SMILES
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O
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
InChIKey
WLRMANUAADYWEA-NWASOUNVSA-N
Chemical Structure
2D Structure
2D structure of Timolol Maleate
CAS: 26921-17-5
CID: 5281056
Formula: C17H28N4O7S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass432.16787042
Monoisotopic Mass432.16787042
Topological Polar Surface Area183 Ų
Heavy Atom Count29
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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