4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide hydrochloride

• ChemBase ID: 154054
• Molecular Formular: C22H29ClN2O2
• Molecular Mass: 388.93086
• Monoisotopic Mass: 388.19175586
• SMILES: CN1CCCCC1CCc1ccccc1NC(=O)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C.Cl
• InChI: InChI=1S/C22H28N2O2.ClH/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18;/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25);1H
• InChIKey: OJIIZIWOLTYOBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide hydrochloride
• IUPAC Traditional name: encainide hydrochloride
• Synonyms: MJ-9067; (+/-)-4-Methoxy-N-[2-[2-(1-methyl-2-piperidinyl)ethyl]phenyl]benzamide hydrochloride; Encainide hydrochloride; (+/-)-4-Methoxy-N-[2-[2-(1-methyl-2-piperidinyl)ethyl]phenyl]benzamide 盐酸盐; Encainide 盐酸盐

Database IDs

• CAS Number: 66794-74-9
• MDL Number: MFCD01667688
• PubChem SID: 162248193
• PubChem CID: 48040

CALCULATED PROPERTIES

• Acid pKa: 12.370312
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1142595
• LogD (pH = 7.4): 2.4205842
• Log P: 4.492219
• Molar Refractivity: 107.7656 cm^3
• Polarizability: 40.921677 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: >25 mg/mL
• Apperance: powder

Safety Information

• RTECS: CV5521500
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C22H28N2O2 · HCl

DETAILS

Sigma Aldrich - E9156

Biochem/physiol Actions
Encainide hydrochloride is a sodium channel blocker and class Ic antiarrhythmic. Encainide is a non-chiral antiarrhythmic and benzanilide derivative.