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Pargolol

CAT: 0013-GTR19210704-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210704-02Size:50 mg
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Description
Pargolol is a selective beta-adrenergic receptor blocker (beta-antagonist) used in pharmacological research. It is applied in both in vitro binding assays and in vivo studies to investigate cardiovascular physiology and adrenergic signaling pathways.
CAS Number
47082-97-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CC (CNC (C) (C) C) O) C1=C (OCC#C) C=CC=C1
Molecular Formula
C16H23NO3
Molecular Weight
277.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pargolol

RN given refers to cpd without isomeric designation; NM refers to HCl; structure

CAS Number47082-97-3
PubChem CID68673
IUPAC Name1-(tert-butylamino)-3-(2-prop-2-ynoxyphenoxy)propan-2-ol
Molecular FormulaC16H23NO3
Molecular Weight277.36
XLogP2.3
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1OCC#C)O
InChI
InChI=1S/C16H23NO3/c1-5-10-19-14-8-6-7-9-15(14)20-12-13(18)11-17-16(2,3)4/h1,6-9,13,17-18H,10-12H2,2-4H3
InChIKey
UFNAECVCKNHAKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pargolol
CAS: 47082-97-3
CID: 68673
Formula: C16H23NO3
MW: 277.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.36
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass277.16779360
Monoisotopic Mass277.16779360
Topological Polar Surface Area50.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
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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Alternative Products

CatalogName
MBS5811767Pargolol
MBS3844486-01Pargolol hydrochloride
A20035-50Pargolol hydrochloride 50mg
A20035-10Pargolol hydrochloride 10mg
A20035-5Pargolol hydrochloride 5mg
A20035-100Pargolol hydrochloride 100mg
A20035-25Pargolol hydrochloride 25mg
A20035-1Pargolol hydrochloride 1mg

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