280
  Mrv0541 02231214342D          

 25 26  0  0  1  0            999 V2000
    6.1876    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7126    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501   -2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00280

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Disopyramide

> <SYNONYMS>
Disopiramida [INN-Spanish]; Disopyramide Free Base; Disopyramide Phosphate; Disopyramidum [INN-Latin]

> <BRANDS>
Dicorantil; Isorythm; Lispine; Norpace; Norpace CR; Ritmodan; Rythmodan; Rythmodan P; Rythmodan-La; Searle 703; Xi-Disopyramide

> <CHEMICAL_FORMULA>
C21H29N3O

> <MOLECULAR_WEIGHT>
339.4745

> <EXACT_MASS>
339.231062565

> <IUPAC_NAME>
4-[bis(propan-2-yl)amino]-2-phenyl-2-(pyridin-2-yl)butanamide

> <INCHI_IDENTIFIER>
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)

> <INCHI_KEY>
InChIKey=UVTNFZQICZKOEM-UHFFFAOYSA-N

> <SMILES>
CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=N1)C(C)C

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
3.21

> <JCHEM_LOGP>
3.47

> <ALOGPS_LOGS>
-3.8

> <JCHEM_POLARIZABILITY>
38.66

> <JCHEM_POLAR_SURFACE_AREA>
59.22

> <JCHEM_REFRACTIVITY>
102.3

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <ALOGPS_SOLUBILITY>
4.93e-02 g/l

$$$$