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Pargolol hydrochloride

CAT: 0931-T12362-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12362-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36902-82-6
Target
Others, Adrenergic Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Pargolol hydrochloride is an antagonist of β adrenergic receptor.
Smiles
Cl.C#CCOC=1C=CC=CC1OCC(O)CNC(C)(C)C
Molecular Formula
C16H24ClNO3
Molecular Weight
313.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pargolol hydrochloride
CAS Number36902-82-6
PubChem CID129010503
IUPAC Name1-(tert-butylamino)-3-(2-prop-2-ynoxyphenoxy)propan-2-ol;hydrochloride
Molecular FormulaC16H24ClNO3
Molecular Weight313.82
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity315
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1OCC#C)O.Cl
InChI
InChI=1S/C16H23NO3.ClH/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;1H
InChIKey
FKNYIAZNWLLUIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pargolol hydrochloride
CAS: 36902-82-6
CID: 129010503
Formula: C16H24ClNO3
MW: 313.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.82
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass313.1444713
Monoisotopic Mass313.1444713
Topological Polar Surface Area50.7 Ų
Heavy Atom Count21
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 Count2
Compound Is CanonicalizedYes

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