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(-) -S-Timolol

CAT: 0931-T23573-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23573-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91524-16-2
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
(-) -S-Timolol is an antagonist of the beta-Adrenergic .
Smiles
O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Molecular Formula
C13H26N4O4S
Molecular Weight
334.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Timolol Hemihydrate

(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).

CAS Number91524-16-2
PubChem CID62933
IUPAC Namebis((2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol);hydrate
Molecular FormulaC26H50N8O7S2
Molecular Weight650.9
Topological Polar Surface Area217
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity310
SMILES
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.O
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
InChIKey
TWBNMYSKRDRHAT-RCWTXCDDSA-N
Chemical Structure
2D Structure
2D structure of Timolol Hemihydrate
CAS: 91524-16-2
CID: 62933
Formula: C26H50N8O7S2
MW: 650.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass650.32438831
Monoisotopic Mass650.32438831
Topological Polar Surface Area217 Ų
Heavy Atom Count43
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5773337(-)-S-Timolol
TRC-T443730-5MG(S)-Timolol
GTR19200649-01(-) -S-Timolol
HY-17380-01(S) -Timolol (maleate)
166439S-Hydroxy Timolol
MBS3603823-01(S)-Timolol maleate
TRC-H965200-100MG(S)-Hydroxy Timolol
sc-491253(S) -Hydroxy Timolol
sc-203297(S) -Timolol Maleate
FB63311-01S-Timolol maleate

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