aprindine
  CDK     0223171736
null
 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000   -3.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  2  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 10 15  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  2  0  0  0  0 
 17 22  2  0  0  0  0 
 19 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:135370

> <NAME>
aprindine

> <STAR>
2

> <SYNONYM>
fiboran; aprinidine; aprindine hydrochloride; aprindine HCl; aprindin; amidonal

> <FORMULA>
C22H30N2

> <MASS>
322.488

> <MONOISOTOPIC_MASS>
322.24090

> <CHARGE>
0

> <SMILES>
N(CCCN(CC)CC)(C1CC2=C(C1)C=CC=C2)C3=CC=CC=C3

> <INCHI>
InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3

> <INCHIKEY>
NZLBHDRPUJLHCE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
37640-71-4

$$$$