
 OpenBabel04291915423D

 65 69  0  0  1  0  0  0  0  0999 V2000
    1.0531   -3.3945    5.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957   -2.9837    4.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1954   -1.8872    3.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -1.1917    1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955   -0.7939    1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080   -1.0918    1.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767   -1.9871    3.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784   -0.0263    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    0.2976   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3507    1.0590   -1.7732 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936    1.3723   -2.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5734    2.1596   -3.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    2.4836   -4.1040 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7190    1.1916   -4.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    2.3085   -1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8486    3.2266   -5.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990    3.6402   -6.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8964    4.3129   -7.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9663    4.6975   -7.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8601    5.3931   -8.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9664    5.7908   -9.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8603    6.4864  -10.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665    6.8841  -11.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1787    4.3997   -7.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1716    3.3521   -5.5224 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2850    2.6091   -4.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7169    2.4132   -3.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0659    1.7399   -2.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634    1.5624   -2.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7124    0.8890   -1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638    0.3932   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654    2.9090   -4.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9607    0.7182   -1.1730 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -3.9310    6.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753   -4.0310    4.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715   -2.5383    5.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1271   -2.1161    3.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -0.9628    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390   -1.1125    1.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544   -1.9664    3.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455    0.8832    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -0.6096   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998   -0.6118   -0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9960    0.8809    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2265    0.4629   -2.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2227    1.9556   -1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0405    3.0691   -3.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0443    1.5763   -4.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911    3.0669   -3.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6760    0.9977   -3.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0087    0.5580   -5.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6995    2.8346   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    2.7204   -1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598    3.4450   -5.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9284    5.6220   -9.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8981    5.5619   -9.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9285    6.7153  -11.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5197    7.3379  -12.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8122    1.6563   -4.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8084    3.1491   -3.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369    1.3588   -2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0923    1.9434   -3.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3791   -0.1052    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0501    3.4075   -5.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END
>  <SKU>
A13899

>  <Product Name>
Astemizole

>  <CAS>
68844-77-9

>  <M.Wt>
458.5703432

>  <Formula>
C28H31FN4O

>  <Synonyms>
Astemisan, Hismanal, Histamen, Paralergim

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

$$$$
