
 OpenBabel04291915373D

 54 56  0  0  0  0  0  0  0  0999 V2000
   -4.3759    2.0844   -2.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5385    1.3109   -1.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1185    0.5448   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3597   -0.1561    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9398   -0.9222    1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2787   -0.9875    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995    1.3762   -1.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758    2.2000   -2.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183    2.8858   -3.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1361    2.2702   -2.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440    3.0363   -3.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    3.1016   -3.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3631    3.8677   -4.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    4.5686   -5.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228    1.5693   -1.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8028    3.9379   -4.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965    3.2972   -4.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3855    4.7075   -5.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1023   -1.6956    2.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248   -2.6652    1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8821   -0.0840    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -1.4725   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871    0.8444   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248   -0.7427    2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -2.4723    3.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4098    1.9099   -2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1613    1.7741   -3.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1613    3.1274   -2.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1475    0.4946   -0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1944   -1.2885    1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3473    2.8356   -3.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726    3.4745   -4.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    3.5749   -4.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    2.5630   -3.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    5.2086   -6.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260    0.9293   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3197    4.7531   -5.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6202   -3.2236    1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941   -2.1184    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1067   -3.8480    0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -4.5721    0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -1.3886   -0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469   -1.9826   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921   -2.0239    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    1.7935   -0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3195    0.9751   -1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6676    0.4183   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425   -0.0602    3.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940   -0.1960    2.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201   -1.3011    3.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   -1.7898    3.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -3.0307    3.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   -3.1431    2.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 38  1  0  0  0  0
 19 26  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
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 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
>  <SKU>
A11094

>  <Product Name>
Bexarotene (LGD1069)

>  <CAS>
153559-49-0

>  <M.Wt>
348.47792

>  <Formula>
C24H28O2

>  <Synonyms>
LGD 1069, SR 11247, Ro 26-4455, Targretin, LG 100069

>  <URL>
https://www.adooq.com/bexarotene.html

$$$$
