
 Zacopride

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.1292   -2.2425    3.2932 C   0  0  0  0  0
    6.6825   -2.2205    1.9378 O   0  0  0  0  0
    6.6075   -0.9799    1.3554 C   0  0  0  0  0
    6.2920    0.1748    2.0923 C   0  0  0  0  0
    6.2426    1.4380    1.4878 C   0  0  0  0  0
    6.4260    1.5196    0.1006 C   0  0  0  0  0
    6.7222    0.3822   -0.6500 C   0  0  0  0  0
    6.8031   -0.8775   -0.0346 C   0  0  0  0  0
    7.0813   -2.0305   -0.9445 C   0  0  0  0  0
    7.5563   -1.8286   -2.0579 O   0  0  0  0  0
    6.7252   -3.2888   -0.5118 N   0  0  0  0  0
    6.7425   -4.4256   -1.4194 C   0  0  0  0  0
    5.5516   -4.4080   -2.4188 C   0  0  0  0  0
    4.8420   -5.7143   -2.4678 N   0  0  0  0  0
    5.8193   -6.7765   -2.7906 C   0  0  0  0  0
    6.9325   -6.8753   -1.7326 C   0  0  0  0  0
    6.7323   -5.7763   -0.6718 C   0  0  0  0  0
    5.3484   -6.0106   -0.0406 C   0  0  0  0  0
    4.2677   -5.9815   -1.1329 C   0  0  0  0  0
    6.3093    3.0384   -0.7182 Cl  0  0  0  0  0
    5.7908    2.5388    2.2403 N   0  0  0  0  0
    7.9703   -1.5597    3.4599 H   0  0  0  0  0
    7.4764   -3.2564    3.5148 H   0  0  0  0  0
    6.3010   -2.0164    3.9719 H   0  0  0  0  0
    6.0547    0.1047    3.1503 H   0  0  0  0  0
    6.8700    0.4714   -1.7249 H   0  0  0  0  0
    6.2639   -3.3644    0.3889 H   0  0  0  0  0
    7.6750   -4.3565   -1.9960 H   0  0  0  0  0
    5.9207   -4.1620   -3.4226 H   0  0  0  0  0
    4.8322   -3.6174   -2.1696 H   0  0  0  0  0
    6.2564   -6.5880   -3.7792 H   0  0  0  0  0
    5.3022   -7.7404   -2.8779 H   0  0  0  0  0
    6.9123   -7.8641   -1.2591 H   0  0  0  0  0
    7.9127   -6.7654   -2.2119 H   0  0  0  0  0
    7.5190   -5.8200    0.0887 H   0  0  0  0  0
    5.3325   -6.9830    0.4668 H   0  0  0  0  0
    5.1348   -5.2517    0.7199 H   0  0  0  0  0
    3.5152   -5.2197   -0.8935 H   0  0  0  0  0
    3.7242   -6.9346   -1.1479 H   0  0  0  0  0
    6.0518    2.5218    3.2202 H   0  0  0  0  0
    6.0021    3.4304    1.7937 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
Zacopride

>  <PubChem CID>
108182

>  <Formula>
C15H20ClN3O2

>  <Molecular Weight>
309.794000

>  <IUPAC Name>
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N

>  <InChI Std. ID>
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)

>  <InChI Key>
FEROPKNOYKURCJ-UHFFFAOYSA-N

