
 fluphenazine enanthate

 76 79  0  0  0  0  0  0  0  0999 V2000
    4.5039   -2.6216    1.4216 C   0  0  0  0  0
    4.6575   -1.1766    1.8673 C   0  0  0  0  0
    5.9908   -0.5870    1.4086 C   0  0  0  0  0
    6.1402    0.8638    1.8676 C   0  0  0  0  0
    7.4647    1.4641    1.3984 C   0  0  0  0  0
    7.6121    2.9056    1.8680 C   0  0  0  0  0
    8.9352    3.4673    1.4218 C   0  0  0  0  0
    9.9807    3.3213    2.0391 O   0  0  0  0  0
    8.7987    4.1215    0.2353 O   0  0  0  0  0
   10.0166    4.6535   -0.3172 C   0  0  0  0  0
   10.3336    6.0307    0.2913 C   0  0  0  0  0
   11.6708    6.5252   -0.0769 N   0  0  0  0  0
   11.7545    6.9704   -1.4825 C   0  0  0  0  0
   11.1630    8.3743   -1.7638 C   0  0  0  0  0
   11.6787    9.4510   -0.8865 N   0  0  0  0  0
   11.5006    9.0057    0.5155 C   0  0  0  0  0
   12.1043    7.6138    0.8254 C   0  0  0  0  0
   13.0921    9.7814   -1.1495 C   0  0  0  0  0
   13.3073   10.4938   -2.4881 C   0  0  0  0  0
   14.8057   10.6555   -2.7840 C   0  0  0  0  0
   15.0170   11.0675   -4.1924 N   0  0  0  0  0
   14.9841   10.0194   -5.1712 C   0  0  0  0  0
   14.9065    8.6475   -4.8211 C   0  0  0  0  0
   14.8633    7.6172   -5.7699 C   0  0  0  0  0
   14.8946    7.9205   -7.1190 C   0  0  0  0  0
   14.9753    9.2512   -7.5060 C   0  0  0  0  0
   15.0244   10.2917   -6.5532 C   0  0  0  0  0
   15.1321   11.9225   -7.2398 S   0  0  0  0  0
   15.0882   12.9548   -5.7983 C   0  0  0  0  0
   15.0322   12.4672   -4.4768 C   0  0  0  0  0
   15.0089   13.4541   -3.4603 C   0  0  0  0  0
   15.0534   14.8404   -3.7203 C   0  0  0  0  0
   15.0994   15.2745   -5.0411 C   0  0  0  0  0
   15.1134   14.3387   -6.0676 C   0  0  0  0  0
   15.0590   15.8469   -2.5954 C   0  0  0  0  0
   16.1543   16.6555   -2.6274 F   0  0  0  0  0
   13.9802   16.6765   -2.6324 F   0  0  0  0  0
   15.0522   15.2811   -1.3559 F   0  0  0  0  0
    3.5410   -3.0205    1.7557 H   0  0  0  0  0
    5.2961   -3.2483    1.8434 H   0  0  0  0  0
    4.5453   -2.7024    0.3308 H   0  0  0  0  0
    4.5846   -1.1274    2.9601 H   0  0  0  0  0
    3.8296   -0.5846    1.4599 H   0  0  0  0  0
    6.0580   -0.6361    0.3149 H   0  0  0  0  0
    6.8168   -1.1866    1.8104 H   0  0  0  0  0
    6.0840    0.9096    2.9620 H   0  0  0  0  0
    5.3083    1.4614    1.4757 H   0  0  0  0  0
    7.5249    1.4241    0.3035 H   0  0  0  0  0
    8.3007    0.8637    1.7790 H   0  0  0  0  0
    7.5703    2.9729    2.9614 H   0  0  0  0  0
    6.8003    3.5352    1.4859 H   0  0  0  0  0
    9.8541    4.7363   -1.3964 H   0  0  0  0  0
   10.8431    3.9465   -0.1727 H   0  0  0  0  0
   10.2731    5.9260    1.3819 H   0  0  0  0  0
    9.5405    6.7411    0.0269 H   0  0  0  0  0
   11.2871    6.2430   -2.1550 H   0  0  0  0  0
   12.8138    6.9677   -1.7686 H   0  0  0  0  0
   11.3048    8.6202   -2.8204 H   0  0  0  0  0
   10.0730    8.3310   -1.6372 H   0  0  0  0  0
   11.9223    9.7500    1.2021 H   0  0  0  0  0
   10.4249    8.9865    0.7347 H   0  0  0  0  0
   13.1980    7.6784    0.7666 H   0  0  0  0  0
   11.8962    7.3530    1.8707 H   0  0  0  0  0
   13.7294    8.8919   -1.0990 H   0  0  0  0  0
   13.4496   10.4620   -0.3652 H   0  0  0  0  0
   12.8198   11.4761   -2.4698 H   0  0  0  0  0
   12.8387    9.9357   -3.3032 H   0  0  0  0  0
   15.3574    9.7365   -2.5590 H   0  0  0  0  0
   15.2642   11.3362   -2.0614 H   0  0  0  0  0
   14.8682    8.3129   -3.7908 H   0  0  0  0  0
   14.8045    6.5827   -5.4451 H   0  0  0  0  0
   14.8583    7.1312   -7.8640 H   0  0  0  0  0
   14.9997    9.4814   -8.5696 H   0  0  0  0  0
   14.9566   13.1833   -2.4113 H   0  0  0  0  0
   15.1273   16.3363   -5.2775 H   0  0  0  0  0
   15.1493   14.6952   -7.0961 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  1  0  0  0
  2 42  1  0  0  0
  2 43  1  0  0  0
  3  4  1  0  0  0
  3 44  1  0  0  0
  3 45  1  0  0  0
  4  5  1  0  0  0
  4 46  1  0  0  0
  4 47  1  0  0  0
  5  6  1  0  0  0
  5 48  1  0  0  0
  5 49  1  0  0  0
  6  7  1  0  0  0
  6 50  1  0  0  0
  6 51  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 52  1  0  0  0
 10 53  1  0  0  0
 11 12  1  0  0  0
 11 54  1  0  0  0
 11 55  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 56  1  0  0  0
 13 57  1  0  0  0
 14 15  1  0  0  0
 14 58  1  0  0  0
 14 59  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 60  1  0  0  0
 16 61  1  0  0  0
 17 62  1  0  0  0
 17 63  1  0  0  0
 18 19  1  0  0  0
 18 64  1  0  0  0
 18 65  1  0  0  0
 19 20  1  0  0  0
 19 66  1  0  0  0
 19 67  1  0  0  0
 20 21  1  0  0  0
 20 68  1  0  0  0
 20 69  1  0  0  0
 21 30  1  0  0  0
 21 22  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 70  1  0  0  0
 24 25  2  0  0  0
 24 71  1  0  0  0
 25 26  1  0  0  0
 25 72  1  0  0  0
 26 27  2  0  0  0
 26 73  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 34  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 74  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 75  1  0  0  0
 34 76  1  0  0  0
 35 38  1  0  0  0
 35 37  1  0  0  0
 35 36  1  0  0  0
M  END

>  <Chemical Name>
fluphenazine enanthate

>  <PubChem CID>
3389

>  <Formula>
C29H38F3N3O2S

>  <Molecular Weight>
549.697000

>  <IUPAC Name>
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate

>  <XlogP>
7.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3

>  <InChI Key>
LRWSFOSWNAQHHW-UHFFFAOYSA-N

