
 7-Hydroxy Risperidone

 58 62  0  0  0  0  0  0  0  0999 V2000
    6.1030   -2.8649    2.2363 C   0  0  0  0  0
    4.9271   -2.4143    3.0658 C   0  0  0  0  0
    3.7995   -1.9161    2.5275 C   0  0  0  0  0
    2.7417   -1.4699    3.4738 C   0  0  0  0  0
    1.7321   -0.9059    3.0523 O   0  0  0  0  0
    2.9748   -1.7014    4.8154 N   0  0  0  0  0
    1.9816   -1.1696    5.7430 C   0  0  0  0  0
    2.1455   -1.6031    7.1967 C   0  0  0  0  0
    3.6083   -1.4945    7.5893 C   0  0  0  0  0
    4.4246   -2.4148    6.7068 C   0  0  0  0  0
    4.1854   -2.1964    5.2254 C   0  0  0  0  0
    5.1255   -2.5581    4.4151 N   0  0  0  0  0
    1.3601   -0.7626    8.0354 O   0  0  0  0  0
    3.5299   -1.6626    1.0633 C   0  0  0  0  0
    2.3888   -2.5338    0.4984 C   0  0  0  0  0
    2.1867   -2.3698   -0.9533 N   0  0  0  0  0
    1.2312   -3.3515   -1.4918 C   0  0  0  0  0
   -0.2300   -3.0817   -1.1132 C   0  0  0  0  0
   -0.6817   -1.6447   -1.4164 C   0  0  0  0  0
    0.3714   -0.6232   -0.9631 C   0  0  0  0  0
    1.7948   -1.0148   -1.3687 C   0  0  0  0  0
   -1.1119   -1.4536   -2.8490 C   0  0  0  0  0
   -0.2429   -1.6028   -3.8591 N   0  0  0  0  0
   -0.9537   -1.3649   -5.0194 O   0  0  0  0  0
   -2.2437   -1.0769   -4.7120 C   0  0  0  0  0
   -2.4064   -1.1162   -3.3367 C   0  0  0  0  0
   -3.6789   -0.8448   -2.8005 C   0  0  0  0  0
   -4.7245   -0.5501   -3.6885 C   0  0  0  0  0
   -4.5041   -0.5262   -5.0655 C   0  0  0  0  0
   -3.2549   -0.7879   -5.6215 C   0  0  0  0  0
   -5.5294   -0.2424   -5.8805 F   0  0  0  0  0
    6.6945   -3.6148    2.7745 H   0  0  0  0  0
    6.7579   -2.0146    2.0194 H   0  0  0  0  0
    5.7949   -3.3300    1.2956 H   0  0  0  0  0
    2.0241   -0.0739    5.6703 H   0  0  0  0  0
    0.9787   -1.4463    5.3934 H   0  0  0  0  0
    1.7928   -2.6339    7.3206 H   0  0  0  0  0
    3.7434   -1.7570    8.6447 H   0  0  0  0  0
    3.9498   -0.4563    7.4862 H   0  0  0  0  0
    4.1852   -3.4629    6.9256 H   0  0  0  0  0
    5.4909   -2.2764    6.9190 H   0  0  0  0  0
    1.4867   -1.0536    8.9559 H   0  0  0  0  0
    4.4312   -1.8242    0.4616 H   0  0  0  0  0
    3.2930   -0.5980    0.9530 H   0  0  0  0  0
    1.4587   -2.3476    1.0441 H   0  0  0  0  0
    2.6543   -3.5820    0.6920 H   0  0  0  0  0
    1.5083   -4.3621   -1.1663 H   0  0  0  0  0
    1.3313   -3.3727   -2.5836 H   0  0  0  0  0
   -0.8780   -3.8053   -1.6235 H   0  0  0  0  0
   -0.3564   -3.2675   -0.0387 H   0  0  0  0  0
   -1.5771   -1.4624   -0.8051 H   0  0  0  0  0
    0.1394    0.3725   -1.3615 H   0  0  0  0  0
    0.3262   -0.5313    0.1298 H   0  0  0  0  0
    1.8997   -0.9454   -2.4579 H   0  0  0  0  0
    2.4990   -0.2674   -0.9897 H   0  0  0  0  0
   -3.8568   -0.8618   -1.7294 H   0  0  0  0  0
   -5.7204   -0.3372   -3.3091 H   0  0  0  0  0
   -3.0849   -0.7690   -6.6892 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 12  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 14  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 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 13  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 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 26  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 30 58  1  0  0  0
M  END

>  <Chemical Name>
7-Hydroxy Risperidone

>  <PubChem CID>
475100

>  <Formula>
C23H27FN4O3

>  <Molecular Weight>
426.492000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N2CC(CCC2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

>  <Isomeric SMILES>
CC1=C(C(=O)N2CC(CCC2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

>  <InChI Std. ID>
InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3

>  <InChI Key>
ABWPQNZPAOAQSG-UHFFFAOYSA-N

