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Pranolium

CAT: 0013-GTR19193056-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193056-03Size:100 mg
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Description
Pranolium is a quaternary ammonium derivative of the beta-blocker Propranolol. This compound is used in pharmacological research, particularly in studies investigating the distinct roles of membrane vs. intracellular beta-adrenergic receptors in both in vitro and in vivo experimental models.
CAS Number
50643-33-9
Smiles
O (CC (C[N+] (C (C) C) (C) C) O) C=1C2=C (C=CC1) C=CC=C2
Molecular Formula
C18H26NO2
Molecular Weight
288.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pranolium

deriv of propranolol; RN given refers to parent cpd; synonym UM 272 refers to iodide; synonym SC 27761 refers to chloride; structure

CAS Number50643-33-9
PubChem CID38089
IUPAC Name(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethyl-propan-2-ylazanium
Molecular FormulaC18H26NO2+
Molecular Weight288.4
XLogP3.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge1
Complexity316
SMILES
CC(C)[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C18H26NO2/c1-14(2)19(3,4)12-16(20)13-21-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16,20H,12-13H2,1-4H3/q+1
InChIKey
VOPWPUXOWBDNBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pranolium
CAS: 50643-33-9
CID: 38089
Formula: C18H26NO2+
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass288.196354072
Monoisotopic Mass288.196354072
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge1
Complexity316
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

Alternative Products

CatalogName
T34124-01Pranolium

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