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Timolol Maleate

CAT: 1568-C09932-01Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C09932-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26921-17-5
Synonyms
MK-950, (S) -Timolol Maleate
SKU
C09932-50mg
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
CC (C) (C) NCC (COC1=NSN=C1N2CCOCC2) O.C (=CC (=O) O) C (=O) O
Molecular Formula
C13H24N4O3S.C4H4O4
Additionnal Information
Timolol Maleate (MK-950, (S) -Timolol Maleate) is a non-selective, beta-adrenergic receptor antagonist for β1/β2 with Ki of 1.97 nM/2.0 nM.
Storage Conditions
2 years -80 in solvent

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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