
 OpenBabel04291915353D

 54 57  0  0  0  0  0  0  0  0999 V2000
   -0.4872    0.9563   -1.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238    0.6365   -1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9601    0.9645   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481    0.6757   -1.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997    0.0588   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877   -0.2300    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4393   -0.8468    1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6273   -1.1357    2.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    1.0037   -1.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251    0.9158   -1.7504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.5654   -1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7314    0.9996   -1.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9752    0.6406   -1.2113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1284    1.0605   -2.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4146    0.6892   -1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5286    1.0949   -2.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7301    0.7481   -1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0194    1.3170    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.6278   -3.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    1.8918   -3.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    1.9805   -3.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748    2.5973   -5.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    2.9254   -5.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    3.5422   -6.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    3.8310   -7.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144    1.6917   -3.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3009    3.8717   -7.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2475    4.5088   -8.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012    1.9289   -1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109    0.2304   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3961    0.9405   -2.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265   -0.1932    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2609    0.0221   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661   -1.0989    2.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2789   -1.5040    2.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711    1.0578   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727   -0.4940   -0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992    0.5073   -2.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6976    2.0590   -2.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0963    0.5681   -2.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0946    2.1199   -2.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4468    1.1816   -0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4484   -0.3702   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1797   -0.2174   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7088    1.1358   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6330    2.3132    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5674    1.0268    1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    2.8193   -5.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1240    2.7034   -5.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199    4.1994   -8.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9660    1.3233   -2.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    4.6896   -9.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    5.4400   -8.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290    3.8883   -9.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
>  <SKU>
A10749

>  <Product Name>
Pravadoline (WIN 48098)

>  <CAS>
92623-83-1

>  <M.Wt>
378.46414

>  <Formula>
C23H26N2O3

>  <Synonyms>
WIN-48098, WIN48098

>  <URL>
https://www.adooq.com/pravadoline-win-48098.html

$$$$
