Marvin  11250816382D          

 25 26  0  0  0  0            999 V2000
   -3.4473    0.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4473   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039    1.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889   -2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329    1.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889   -3.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
> <ID>
CHEBI:4657

> <NAME>
disopyramide

> <DEFINITION>
A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a  anti-arrhythmia drug.

> <STAR>
3

> <SYNONYM>
gamma-Diisopropylamino-alpha-phenyl-alpha-(2-pyridyl)butyramide; alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide

> <IUPAC_NAME>
4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanamide

> <INN>
disopyramidum; disopyramide; disopiramida

> <FORMULA>
C21H29N3O

> <MASS>
339.47458

> <MONOISOTOPIC_MASS>
339.23106

> <CHARGE>
0

> <SMILES>
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C

> <INCHI>
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)

> <INCHIKEY>
UVTNFZQICZKOEM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
492056

> <CAS_REGISTRY_NUMBER>
3737-09-5

> <REAXYS_REGISTRY_NUMBER>
492056

> <CHEMIDPLUS>
3737-09-5

> <DRUGBANK_ACCESSION>
DB00280

> <KEGG_COMPOUND_ACCESSION>
C06965

> <KEGG_DRUG_ACCESSION>
D00303

> <LINCS_ACCESSION>
LSM-1439

> <WIKIPEDIA_ACCESSION>
Disopyramide

> <PUBMED_CITATION>
16842817; 24502246

$$$$