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Propranolol glycol

CAT: 0804-HY-101240-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101240-01Size:5 mg
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Description
Propranolol glycol is a metabolite of propranolol. Propranolol glycol shows instantaneous anticonvulsant activity[1][2].
CAS Number
36112-95-5
UNSPSC
12352005
Hazard Statement
H311
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/propranolol-glycol.html
Purity
99.30
Smiles
OCC(O)COC1=C2C=CC=CC2=CC=C1
Molecular Formula
C13H14O3
Molecular Weight
218.25
Precautions
H311
References & Citations
[1]Sealens DA, et al. Quantitative determination of propranolol, propranolol glycol and N-desisopropylpropranolol in brain tissue by electron capture gas chromatography. J Chromatogr. 1976 Jul 21;123 (1) :185-92. |[2]Saelens DA, et al. Central nervous system effects and metabolic disposition of a glycol metabolite of propranolol. J Pharmacol Exp Ther. 1974 Jan;188 (1) :86-92.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Propranolol glycol

propranolol metabolite; potent anticonvulsant against strychnine induced convulsions

CAS Number36112-95-5
PubChem CID37369
IUPAC Name3-naphthalen-1-yloxypropane-1,2-diol
Molecular FormulaC13H14O3
Molecular Weight218.25
XLogP1.9
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity207
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CO)O
InChI
InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2
InChIKey
BYNNMWGWFIGTIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propranolol glycol
CAS: 36112-95-5
CID: 37369
Formula: C13H14O3
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass218.094294304
Monoisotopic Mass218.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
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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