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66794-74-9 molecular structure
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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 and InChIs

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

Cite this record

CBID:154054 http://www.chembase.cn/molecule-154054.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
66794-74-9
MDL Number
MFCD01667688
PubChem SID
162248193
PubChem CID
48040

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
E9156 external link Add to cart Please log in.
Data Source Data ID
PubChem 48040 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.370312  H Acceptors
H Donor LogD (pH = 5.5) 1.1142595 
LogD (pH = 7.4) 2.4205842  Log P 4.492219 
Molar Refractivity 107.7656 cm3 Polarizability 40.921677 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: >25 mg/mL expand Show data source
Apperance
powder expand Show data source
RTECS
CV5521500 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25-36/37/38 expand Show data source
Safety Statements
26-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C22H28N2O2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E9156 external link
Biochem/physiol Actions
Encainide hydrochloride is a sodium channel blocker and class Ic antiarrhythmic. Encainide is a non-chiral antiarrhythmic and benzanilide derivative.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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