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(RS) -Butyryltimolol

CAT: 0013-GTR19216008Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216008Size:2 mg
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Description
(RS) -Butyryltimolol is the racemic mixture of Butyryltimolol, a prodrug of the β-adrenergic antagonist Timolol designed to enhance its corneal permeability. This modification facilitates ophthalmic research, particularly in studies investigating intraocular pressure reduction in models of glaucoma.
CAS Number
2320274-78-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
CCCC (=O) OC (CNC (C) (C) C) COc1nsnc1N1CCOCC1
Molecular Formula
C17H30N4O4S
Molecular Weight
386.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(RS)-Butyryltimolol
CAS Number2320274-78-8
PubChem CID23276806
IUPAC Name[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
Molecular FormulaC17H30N4O4S
Molecular Weight386.5
XLogP3.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity429
SMILES
CCCC(=O)OC(CNC(C)(C)C)COC1=NSN=C1N2CCOCC2
InChI
InChI=1S/C17H30N4O4S/c1-5-6-14(22)25-13(11-18-17(2,3)4)12-24-16-15(19-26-20-16)21-7-9-23-10-8-21/h13,18H,5-12H2,1-4H3
InChIKey
IGJCFKQCZRWRRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (RS)-Butyryltimolol
CAS: 2320274-78-8
CID: 23276806
Formula: C17H30N4O4S
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass386.19877662
Monoisotopic Mass386.19877662
Topological Polar Surface Area114 Ų
Heavy Atom Count26
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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