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Penbutolol sulfate

CAT: 0013-GTR19205176-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205176-01Size:10 mg
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Description
Penbutolol sulfate
CAS Number
38363-32-5
Product Name Alternative
β2-adrenergic receptor, β1-adrenergic receptor, Terbuclomine, Penbutolol, Penbutolol Sulfate, Penbutolol sulfate, Beta Receptor, (-) -Terbuclomine, Adrenergic Receptor, AdrenergicReceptor, inhibit, Inhibitor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.55% (May vary between batches)
Solubility
DMSO:6.25 mg/mL (18.36 mM) ; H2O:5 mg/mL (14.69 mM)
Smiles
CC (C) (C) NC[C@@H] (COC1=CC=CC=C1C2CCCC2) O.CC (C) (C) NC[C@@H] (COC1=CC=CC=C1C2CCCC2) O.OS (=O) (=O) O
Molecular Formula
C18H29NO2.1/2H2O4S
Molecular Weight
340.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Penbutolol Sulfate

Penbutolol sulfate is an ethanolamine sulfate salt. It has a role as a beta-adrenergic antagonist. It is functionally related to a penbutolol.

CAS Number38363-32-5
PubChem CID38010
IUPAC Namebis((2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol);sulfuric acid
Molecular FormulaC36H60N2O8S
Molecular Weight680.9
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count47
Formal Charge0
Complexity375
SMILES
CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O
InChI
InChI=1S/2C18H29NO2.H2O4S/c2*1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h2*6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t2*15-;/m00./s1
InChIKey
FEDSNBHHWZEYTP-ZFQYHYQMSA-N
Chemical Structure
2D Structure
2D structure of Penbutolol Sulfate
CAS: 38363-32-5
CID: 38010
Formula: C36H60N2O8S
MW: 680.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass680.40703805
Monoisotopic Mass680.40703805
Topological Polar Surface Area166 Ų
Heavy Atom Count47
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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