SOTALOL

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AA07
UNII: A6D97U294I

Structure
InChI Key ZBMZVLHSJCTVON-UHFFFAOYSA-N
Smile CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
InChI
InChI=1S/C12H20N2O3S/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2O3S
Molecular Weight 272.37
AlogP 1.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 78.43
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) 0.24 - EXP
Henry's Law Constant 2.49E-14 atm-m3/mole EST
Atmospheric OH Rate Constant 1.53E-10 cm3/molecule-sec EST
Melting Point 206.5-207 deg C EXP
Water Solubility 5510 mg/L EST
Vapor Pressure 5.30E-09 mm Hg EST

Pharmacology

Primary Target
β1-adrenoceptor
β2-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 5000-5200 580 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 19
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 32

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Ventricular Fibrillation 3 D014693 ClinicalTrials
Tachycardia, Ventricular 3 D017180 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
Death, Sudden, Cardiac 3 D016757 ClinicalTrials

Related Entries

MCS

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 3930-20-9
ChEBI 63622
ChEMBL CHEMBL471
DrugBank DB00489
DrugCentral 2464
EPA CompTox DTXSID0023589
FDA SRS A6D97U294I
Human Metabolome Database HMDB0014632
Guide to Pharmacology 7297
KEGG C07309
PharmGKB PA451457
PubChem 5253
SureChEMBL SCHEMBL16407
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