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Sotalol Hydrochloride
CAS: 959-24-0 | C12H21ClN2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
959-24-0
Molecular Formula:
C12H21ClN2O3S
Molecular Mass:
308.83 g/mol
Names and Synonyms:
Sotalol Hydrochloride
Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, hydrochloride (1:1)
Methanesulfonanilide, 4′-[1-hydroxy-2-(isopropylamino)ethyl]-, monohydrochloride
Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, monohydrochloride
4′-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide hydrochloride
4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide hydrochloride
N-Isopropyl-β-(4-methanesulfonamidophenyl)ethanolamine hydrochloride
Sotalol hydrochloride
MJ 1999
4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide monohydrochloride
Sotalex
Sotacor
DL-MJ 1999
(±)-Sotalol hydrochloride
dl-Sotalol hydrochloride
Betapace
Darob
Sotalol HCl
N-[4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]methanesulfonamide hydrochloride
Identifiers:
SMILES:
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.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
Key Properties
Melting Point
206.5-207 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.83 g/mol | CAS Common Chemistry |
| 308.83099999999996 g/mol | RDKit | |
| 308.096141212 g/mol | RDKit | |
| Canonical SMILES | Cl.O=S(=O)(NC1=CC=C(C=C1)C(O)CNC(C)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VIDRYROWYFWGSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206.5-207 °C | CAS Common Chemistry |
| Name | Sotalol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.43 Ų | RDKit |
| LogP | 1.5112999999999999 | RDKit |
| Molar Refractivity | 80.25500000000004 | RDKit |
