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959-24-0 molecular structure
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N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide hydrochloride

ChemBase ID: 73054
Molecular Formular: C12H21ClN2O3S
Molecular Mass: 308.82474
Monoisotopic Mass: 308.09614122
SMILES and InChIs

SMILES:
c1(ccc(cc1)NS(=O)(=O)C)C(CNC(C)C)O.Cl
Canonical SMILES:
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C.Cl
InChI:
InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
InChIKey:
VIDRYROWYFWGSY-UHFFFAOYSA-N

Cite this record

CBID:73054 http://www.chembase.cn/molecule-73054.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide hydrochloride
IUPAC Traditional name
sotalol hydrochloride
Synonyms
Betapace
Betapace AF
Berlex Laboratories
Sotalol hydrochloride
N-[4-[1-Hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide hydrochloride
(±)-Sotalol hydrochloride
CAS Number
959-24-0
S2509
EC Number
213-496-0
MDL Number
MFCD00242937
PubChem SID
162037974
24278689
PubChem CID
66245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.069403  H Acceptors
H Donor LogD (pH = 5.5) -3.138338 
LogD (pH = 7.4) -2.1217964  Log P -0.395064 
Molar Refractivity 71.1191 cm3 Polarizability 28.832848 Å3
Polar Surface Area 78.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
H2O: soluble20 mg/mL expand Show data source
Apperance
white to off-white powder expand Show data source
Storage Condition
-20°C expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
PB0826000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
human ... ADRB1(153), ADRB2(154), ADRB3(155) expand Show data source
Purity
≥98% (TLC) expand Show data source
Salt Data
hydrochloride expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193715 external link
Hydrochloride
A potent β-adrenergic antagonist.
Selleck Chemicals - S2509 external link
Research Area: Neurological Disease
Biological Activity:
Sotalol (Betapace) is a non-selective beta blocker and a potassium channel blocker with an IC50 of 43 µM. Sotalol definitely distinctly located binding site to interfere with K+ permeation; both enantiomers associated with a rate close to 5 ? 105 /mol/ sec with the open pore thereby flicker-blocking cardiac K(ATP) channels. [1][2]
Sigma Aldrich - S0278 external link
Biochem/physiol Actions
Potent β-adrenoceptor antagonist; class III antiarrhythmic; prolongs the action potential and increases the refractory period.

REFERENCES

REFERENCES

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  • •  Benz I et al. J Membr Biol. 1994 Dec;142(3):309-2
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PATENTS

PATENTS

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INTERNET

INTERNET

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