
 Fortalgesic

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.5808    1.1893   -0.8784 C   0  0  0  0  0
    1.3782    1.0226    0.4260 C   0  0  0  0  0
    2.8736    1.3837    0.2545 C   0  0  0  0  0
    2.9872    2.8544   -0.2011 C   0  0  0  0  0
    2.1390    3.8060    0.6147 C   0  0  0  0  0
    1.1032    3.3460    1.4577 C   0  0  0  0  0
    0.8344    1.8358    1.6349 C   0  0  0  0  0
    1.6044    1.3674    2.9068 C   0  0  0  0  0
    2.9170    0.6298    2.6034 C   0  0  0  0  0
    3.6762    1.2181    1.4975 N   0  0  0  0  0
    4.9226    0.4642    1.2856 C   0  0  0  0  0
    5.8451    1.1176    0.2935 C   0  0  0  0  0
    6.3083    0.6178   -0.8695 C   0  0  0  0  0
    5.9808   -0.7441   -1.4235 C   0  0  0  0  0
    7.2169    1.4364   -1.7493 C   0  0  0  0  0
   -0.6717    1.5425    1.8209 C   0  0  0  0  0
    0.3800    4.3006    2.1981 C   0  0  0  0  0
    0.6596    5.6592    2.0819 C   0  0  0  0  0
    1.6570    6.1118    1.2317 C   0  0  0  0  0
    2.3927    5.1848    0.4975 C   0  0  0  0  0
   -0.0730    6.5252    2.8404 O   0  0  0  0  0
    1.1050    0.7100   -1.7126 H   0  0  0  0  0
    0.4096    2.2367   -1.1421 H   0  0  0  0  0
   -0.3987    0.7068   -0.7972 H   0  0  0  0  0
    1.3093   -0.0502    0.6600 H   0  0  0  0  0
    3.2729    0.7407   -0.5402 H   0  0  0  0  0
    2.6762    2.9364   -1.2504 H   0  0  0  0  0
    4.0320    3.1854   -0.1679 H   0  0  0  0  0
    1.8149    2.2122    3.5751 H   0  0  0  0  0
    0.9812    0.6771    3.4913 H   0  0  0  0  0
    3.5225    0.6400    3.5187 H   0  0  0  0  0
    2.6968   -0.4266    2.3970 H   0  0  0  0  0
    4.6963   -0.5728    1.0252 H   0  0  0  0  0
    5.4768    0.4268    2.2332 H   0  0  0  0  0
    6.1557    2.1204    0.5885 H   0  0  0  0  0
    5.2668   -1.3036   -0.8170 H   0  0  0  0  0
    6.8923   -1.3447   -1.4993 H   0  0  0  0  0
    5.5453   -0.6473   -2.4233 H   0  0  0  0  0
    7.4191    2.4277   -1.3335 H   0  0  0  0  0
    6.7605    1.5778   -2.7357 H   0  0  0  0  0
    8.1770    0.9259   -1.8823 H   0  0  0  0  0
   -1.0450    1.9002    2.7864 H   0  0  0  0  0
   -0.8664    0.4641    1.7895 H   0  0  0  0  0
   -1.2772    2.0169    1.0401 H   0  0  0  0  0
   -0.3964    4.0008    2.8954 H   0  0  0  0  0
    1.8823    7.1680    1.1335 H   0  0  0  0  0
    3.1836    5.5366   -0.1616 H   0  0  0  0  0
    0.2656    7.4225    2.6914 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
  2  7  1  0  0  0
  2 25  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 20  1  0  0  0
  5  6  2  0  0  0
  6 17  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
M  END

>  <Chemical Name>
Fortalgesic

>  <PubChem CID>
4736

>  <Formula>
C19H27NO

>  <Molecular Weight>
285.431000

>  <IUPAC Name>


>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O

>  <Isomeric SMILES>
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

>  <InChI Key>
VOKSWYLNZZRQPF-UHFFFAOYSA-N

