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Alprenolol

CAT: 0024-sc-507469Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-507469Size:50 mg
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CAS Number
13655-52-2

Chemical Information

Alprenolol

Alprenolol is a secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and a sympatholytic agent. It is a secondary alcohol and a secondary amino compound.

CAS Number13655-52-2
PubChem CID2119
IUPAC Name1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular FormulaC15H23NO2
Molecular Weight249.35
XLogP3.1
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity231
SMILES
CC(C)NCC(COC1=CC=CC=C1CC=C)O
InChI
InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
InChIKey
PAZJSJFMUHDSTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alprenolol
CAS: 13655-52-2
CID: 2119
Formula: C15H23NO2
MW: 249.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.35
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass249.172878976
Monoisotopic Mass249.172878976
Topological Polar Surface Area41.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity231
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

Related Products

CatalogName
sc-481500Alprenlol Hydrochloride-d7

Alternative Products

CatalogName
BA4994-50Alprenolol
B7194-500Alprenolol hydrochloride
HY-B1517A-01Alprenolol (hydrochloride)
MBS5779534Alprenolol-nbd
MBS5774139L-Alprenolol
317173Alprenolol HCl
T69876-01Alprenolol tartrate
MBS5811676Alprenolol glucuronide

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