
 risperidone

 57 61  0  0  0  0  0  0  0  0999 V2000
    5.6145   -3.7866    1.0757 C   0  0  0  0  0
    4.8483   -3.5089    2.3444 C   0  0  0  0  0
    3.6513   -2.8958    2.3641 C   0  0  0  0  0
    3.0113   -2.7008    3.6930 C   0  0  0  0  0
    1.9361   -2.1076    3.7779 O   0  0  0  0  0
    3.6931   -3.2043    4.7865 N   0  0  0  0  0
    3.1569   -2.8701    6.1012 C   0  0  0  0  0
    3.7197   -3.6994    7.2422 C   0  0  0  0  0
    5.2324   -3.7313    7.1419 C   0  0  0  0  0
    5.6270   -4.3784    5.8295 C   0  0  0  0  0
    4.9185   -3.7986    4.6192 C   0  0  0  0  0
    5.4837   -3.9695    3.4686 N   0  0  0  0  0
    2.9133   -2.3271    1.1766 C   0  0  0  0  0
    1.8295   -3.2947    0.6712 C   0  0  0  0  0
    1.1323   -2.8049   -0.5324 N   0  0  0  0  0
    0.3849   -3.8762   -1.2115 C   0  0  0  0  0
   -0.8651   -4.3337   -0.4522 C   0  0  0  0  0
   -1.8057   -3.1692   -0.0938 C   0  0  0  0  0
   -1.0084   -2.0059    0.5188 C   0  0  0  0  0
    0.2437   -1.6598   -0.2900 C   0  0  0  0  0
   -2.7119   -2.7241   -1.2172 C   0  0  0  0  0
   -2.5320   -3.1459   -2.4780 N   0  0  0  0  0
   -3.5610   -2.5966   -3.2196 O   0  0  0  0  0
   -4.3570   -1.8485   -2.4131 C   0  0  0  0  0
   -3.8616   -1.8874   -1.1207 C   0  0  0  0  0
   -4.5398   -1.1734   -0.1153 C   0  0  0  0  0
   -5.6864   -0.4504   -0.4729 C   0  0  0  0  0
   -6.1453   -0.4503   -1.7898 C   0  0  0  0  0
   -5.4956   -1.1524   -2.8027 C   0  0  0  0  0
   -7.2491    0.2474   -2.0903 F   0  0  0  0  0
    6.0806   -4.7779    1.1213 H   0  0  0  0  0
    6.4078   -3.0431    0.9462 H   0  0  0  0  0
    4.9832   -3.7832    0.1833 H   0  0  0  0  0
    3.3810   -1.8086    6.2699 H   0  0  0  0  0
    2.0650   -2.9642    6.0856 H   0  0  0  0  0
    3.4097   -3.2729    8.2020 H   0  0  0  0  0
    3.3212   -4.7198    7.1947 H   0  0  0  0  0
    5.6561   -4.2966    7.9793 H   0  0  0  0  0
    5.6352   -2.7125    7.1973 H   0  0  0  0  0
    5.3954   -5.4505    5.8548 H   0  0  0  0  0
    6.7099   -4.2877    5.6855 H   0  0  0  0  0
    3.6087   -2.0937    0.3619 H   0  0  0  0  0
    2.4785   -1.3615    1.4582 H   0  0  0  0  0
    1.1273   -3.5339    1.4776 H   0  0  0  0  0
    2.3339   -4.2373    0.4188 H   0  0  0  0  0
    1.0416   -4.7372   -1.3888 H   0  0  0  0  0
    0.1091   -3.5233   -2.2127 H   0  0  0  0  0
   -1.3899   -5.0988   -1.0374 H   0  0  0  0  0
   -0.5535   -4.8308    0.4754 H   0  0  0  0  0
   -2.4839   -3.5453    0.6866 H   0  0  0  0  0
   -1.6285   -1.1073    0.6170 H   0  0  0  0  0
   -0.7162   -2.2776    1.5410 H   0  0  0  0  0
   -0.0603   -1.2444   -1.2603 H   0  0  0  0  0
    0.7824   -0.8443    0.2039 H   0  0  0  0  0
   -4.1883   -1.1735    0.9123 H   0  0  0  0  0
   -6.2306    0.1177    0.2773 H   0  0  0  0  0
   -5.8549   -1.1533   -3.8224 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 12  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  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 12  2  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
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 14 15  1  0  0  0
 14 44  1  0  0  0
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 15 16  1  0  0  0
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 17 18  1  0  0  0
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 28 30  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
risperidone

>  <PubChem CID>
5073

>  <Formula>
C23H27FN4O2

>  <Molecular Weight>
410.493000

>  <IUPAC Name>
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

>  <Isomeric SMILES>
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

>  <InChI Std. ID>
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

>  <InChI Key>
RAPZEAPATHNIPO-UHFFFAOYSA-N

