
 Prucalopride

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.0068    0.9849   -3.2791 C   0  0  0  0  0
    0.9172    1.2169   -2.2114 O   0  0  0  0  0
    1.8073    2.2913   -2.5059 C   0  0  0  0  0
    2.8188    2.4200   -1.3688 C   0  0  0  0  0
    3.8263    3.5336   -1.6737 C   0  0  0  0  0
    4.8573    3.7417   -0.6394 N   0  0  0  0  0
    5.6995    2.5655   -0.3744 C   0  0  0  0  0
    6.5737    2.1648   -1.5611 C   0  0  0  0  0
    7.4321    3.3291   -2.0753 C   0  0  0  0  0
    6.6416    4.6404   -2.1732 C   0  0  0  0  0
    5.7268    4.8842   -0.9690 C   0  0  0  0  0
    8.6455    3.5018   -1.2858 N   0  0  0  0  0
    9.7117    2.6363   -1.4001 C   0  0  0  0  0
    9.6918    1.6343   -2.1099 O   0  0  0  0  0
   10.9252    2.9414   -0.5980 C   0  0  0  0  0
   11.8603    1.9176   -0.3965 C   0  0  0  0  0
   13.0279    2.1551    0.3431 C   0  0  0  0  0
   13.2898    3.4111    0.9290 C   0  0  0  0  0
   12.3740    4.4238    0.6694 C   0  0  0  0  0
   11.2095    4.1886   -0.0589 C   0  0  0  0  0
   10.4391    5.3178   -0.2184 O   0  0  0  0  0
   11.0437    6.2982    0.6535 C   0  0  0  0  0
   12.4692    5.8704    0.9840 C   0  0  0  0  0
   14.5194    3.7007    1.5401 N   0  0  0  0  0
   14.1442    0.8471    0.5473 Cl  0  0  0  0  0
   -0.6625    0.1700   -2.9910 H   0  0  0  0  0
    0.5475    0.6893   -4.1846 H   0  0  0  0  0
   -0.5932    1.8792   -3.4740 H   0  0  0  0  0
    1.2349    3.2191   -2.6149 H   0  0  0  0  0
    2.3291    2.0828   -3.4478 H   0  0  0  0  0
    3.3159    1.4513   -1.2470 H   0  0  0  0  0
    2.2949    2.6192   -0.4262 H   0  0  0  0  0
    3.2591    4.4675   -1.7797 H   0  0  0  0  0
    4.2762    3.3351   -2.6526 H   0  0  0  0  0
    5.0912    1.7146   -0.0519 H   0  0  0  0  0
    6.3428    2.7841    0.4898 H   0  0  0  0  0
    7.1975    1.3127   -1.2690 H   0  0  0  0  0
    5.9351    1.8051   -2.3759 H   0  0  0  0  0
    7.7749    3.0699   -3.0862 H   0  0  0  0  0
    7.3245    5.4921   -2.2858 H   0  0  0  0  0
    6.0341    4.6187   -3.0854 H   0  0  0  0  0
    6.3414    5.1223   -0.0906 H   0  0  0  0  0
    5.1174    5.7790   -1.1446 H   0  0  0  0  0
    8.7566    4.3280   -0.7059 H   0  0  0  0  0
   11.6836    0.9325   -0.8254 H   0  0  0  0  0
   11.0230    7.2781    0.1628 H   0  0  0  0  0
   10.4299    6.3621    1.5595 H   0  0  0  0  0
   13.1914    6.3555    0.3183 H   0  0  0  0  0
   12.7216    6.0824    2.0258 H   0  0  0  0  0
   14.9950    2.8639    1.8753 H   0  0  0  0  0
   14.4830    4.4314    2.2428 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 25  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
Prucalopride

>  <PubChem CID>
3052762

>  <Formula>
C18H26ClN3O3

>  <Molecular Weight>
367.874000

>  <IUPAC Name>
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

>  <Isomeric SMILES>
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

>  <InChI Std. ID>
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)

>  <InChI Key>
ZPMNHBXQOOVQJL-UHFFFAOYSA-N

