3-Methoxy-O-demethylencainide
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Basic information
- CAS
81329-71-7- Standard SMILES
COc1cc(C(=O)Nc2ccccc2CCC2CCCCN2C)ccc1O- InChIKey
LBYXPDAENJSHDD-UHFFFAOYSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Overview
Modecainide is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 3-Methoxy-O-demethylencainide
- IUPAC
- 4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
- English name
- Modecainide
- Molecular formula
- C22H28N2O3
- Molecular weight
- 368.47
Names & synonyms
3-Methoxy-O-demethylencainide82522-70-1Benzamide, 4-hydroxy-3-methoxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)-3-methoxy-4-hydroxyencainide3-methoxy-O-demethyl-encainideencainide, 3-methoxy-4-hydroxy-MJ14030RefChem:911481Modecainide81329-71-7ModecainidaModecainidum
Show more names
Modecainide(BMY 403274-Hydroxy-3-methoxy-N-(2-(2-(1-methylpiperidin-2-yl)ethyl)phenyl)benzamideBenzamide, 4-hydroxy-3-methoxy-N-[2-[2-(1-methyl-2-piperidinyl)ethyl]phenyl]-
Modecainidum [INN-Latin]MJ 14030BMY 40327BMY-403273-methoxy-O-desmethylencainideMJ-140304-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamideJU27887FWK
Database identifiers
- CAS
81329-71-7- PubChem CID
- 54737
- DTXSID
DTXSID20868609- ChEMBL
CHEMBL2106770- ChEBI
CHEBI:230065- UNII
- JU27887FWK
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- FDA UNII
- 27887 FWK · JU27887FWK
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Applications
UsesCardiac depressant (anti-arrhythmic).
UsesModecainide is a derivative of Encainide, which is a class LC antiarrhythmic agent.
Related reactions
0 records
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Compound notes
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