Tocainide hydrochlorideProduct ingredient for Tocainide

Name
Tocainide hydrochloride
Drug Entry
Tocainide

An antiarrhythmic agent which exerts a potential- and frequency-dependent block of sodium channels.

Accession Number
DBSALT001138
Structure
Synonyms
Tocainide HCl
UNII
2K7I38CKN5
CAS Number
71395-14-7
Weight
Average: 228.72
Monoisotopic: 228.1029409
Chemical Formula
C11H17ClN2O
InChI Key
AMZACPWEJDQXGW-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O.ClH/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12;/h4-6,9H,12H2,1-3H3,(H,13,14);1H
IUPAC Name
2-amino-N-(2,6-dimethylphenyl)propanimidic acid hydrochloride
SMILES
Cl.CC(N)C(O)=NC1=C(C)C=CC=C1C
ChemSpider
97254
ChEMBL
CHEMBL1200773
Wikipedia
Tocainide
Predicted Properties
PropertyValueSource
Water Solubility0.47 mg/mLALOGPS
logP1.4ALOGPS
logP0.35Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.73Chemaxon
pKa (Strongest Basic)9.56Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.61 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity59.61 m3·mol-1Chemaxon
Polarizability21.8 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon