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Sulfinalol (hydrochloride)

CAT: 0804-HY-106499ASize: 1 EachDry Ice: NoHazardous: No
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Description
Sulfinalol hydrochloride is an orally active β-adrenoceptor antagonist with direct vasodilator activity. Sulfinalol hydrochloride is an antihypertensive agent[1].
CAS Number
63251-39-8
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/sulfinalol-hydrochloride.html
Smiles
COC(C=C1)=CC=C1CCC(C)NCC(C2=CC(S(C)=O)=C(O)C=C2)O.Cl
Molecular Formula
C20H28ClNO4S
Molecular Weight
413.96
References & Citations
[1]E J Sybertz, et al. Studies on the mechanism of the acute antihypertensive and vasodilator actions of several beta-adrenoceptor antagonists. J Cardiovasc Pharmacol. 1982 Sep-Oct;4 (5) :749-58.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
β adrenergic receptor

Chemical Information

Benzenemethanol, 4-hydroxy-alpha-(((3-(4-methoxyphenyl)-1-methylpropyl)amino)methyl)-3-(methylsulfinyl)-, hydrochloride (1:1)
CAS Number63251-39-8
PubChem CID44438
IUPAC Name4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfinylphenol;hydrochloride
Molecular FormulaC20H28ClNO4S
Molecular Weight414.0
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity428
SMILES
CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)S(=O)C)O.Cl
InChI
InChI=1S/C20H27NO4S.ClH/c1-14(4-5-15-6-9-17(25-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)26(3)24;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H
InChIKey
KJSMCQZGOIBBGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanol, 4-hydroxy-alpha-(((3-(4-methoxyphenyl)-1-methylpropyl)amino)methyl)-3-(methylsulfinyl)-, hydrochloride (1:1)
CAS: 63251-39-8
CID: 44438
Formula: C20H28ClNO4S
MW: 414.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass413.1427572
Monoisotopic Mass413.1427572
Topological Polar Surface Area98 Ų
Heavy Atom Count27
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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