Marvin  07271014562D          

 26 28  0  0  0  0            999 V2000
   10.2161   -3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3400   -4.6443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2995   -5.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649   -4.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189   -2.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4371   -6.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612   -5.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0513   -5.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272   -3.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -5.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896   -4.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -6.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5837   -6.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753   -6.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3965   -7.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5809   -7.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1075   -7.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2587   -8.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5672   -4.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8367   -4.6280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6966   -3.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8367   -5.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9713   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6966   -2.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9713   -2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8155   -1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 12 10  1  0  0  0  0
 18 15  1  0  0  0  0
  7 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
> <ID>
CHEBI:4788

> <NAME>
encainide

> <DEFINITION>
4-Methoxy-N-phenylbenzamide in which the hydrogen at the 2 position of the phenyl group is substituted by a 2-(1-methylpiperidin-2-yl)ethyl group. A class Ic antiarrhythmic, the hydrochloride was used for the treatment of severe or life-threatening ventricular arrhythmias, but it was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack and was withdrawn from the market.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:239046

> <SYNONYM>
Encainide; 4-Methoxy-N-{2-[2-(1-methyl-piperidin-2-yl)-ethyl]-phenyl}-benzamide; 4-methoxy-2'-[2-(1-methyl-2-piperidyl)ethyl]benzanilide; (+-)-4-methoxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)benzamide; (+-)-2'-[2-(1-methyl-2-piperidyl)ethyl]-p-anisanilide

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

> <INN>
encainidum; encainide; encainide; encainida

> <FORMULA>
C22H28N2O2

> <MASS>
352.46990

> <MONOISOTOPIC_MASS>
352.21508

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C

> <INCHI>
InChI=1S/C22H28N2O2/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)

> <INCHIKEY>
PJWPNDMDCLXCOM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
497572

> <CAS_REGISTRY_NUMBER>
66778-36-7

> <CHEMIDPLUS>
66778-36-7

> <DRUGBANK_ACCESSION>
DB01228

> <KEGG_COMPOUND_ACCESSION>
C06978

> <KEGG_DRUG_ACCESSION>
D07894

$$$$