
 OpenBabel04291915453D

 56 58  0  0  1  0  0  0  0  0999 V2000
    0.9741   -0.0328    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.0328    0.0908 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8508   -0.6831   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008    1.3779   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    2.1862    0.7974 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308    1.3779   -0.1613 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    1.8040   -1.3406 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -0.4772    1.3207 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2827   -0.5610    1.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7303   -0.9912    2.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506   -1.0736    2.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233   -0.7256    2.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4757   -0.2954    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624   -0.4786    1.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655   -0.8343    2.3199 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    0.0656    3.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0353   -2.2779    2.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705   -0.3003    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -1.3653    3.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851   -1.2901    3.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -1.8128    5.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253   -2.1844    6.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0853   -2.6315    7.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531   -3.0031    8.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428   -2.9152    8.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678   -1.9007    5.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186   -3.4505    9.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -3.7985   10.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936   -4.2277   11.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5139   -4.3089   11.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3865   -3.9610   10.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857   -3.0355    8.3879 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0079   -4.7826   13.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627   -3.9747   14.1949 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663   -6.0176   13.4575 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379   -4.7805   13.2374 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -3.7203   10.2767 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    0.6174    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -1.0259    0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    0.3100   -0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946   -1.4042    3.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    0.0060   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305   -0.4735    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128   -0.9313    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6225   -0.3660    1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    0.7118    0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109   -2.9872    5.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -1.3441    6.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6996   -1.8287    7.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012   -3.4718    7.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1408   -2.1425    8.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8711   -3.5357    8.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2682   -1.0303    5.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406   -2.3794    4.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229   -4.4950   12.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184   -3.9647   10.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  6  0  0  0
  4  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  2  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 33 36  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <SKU>
A15021

>  <Product Name>
Bitopertin

>  <CAS>
845614-11-1

>  <M.Wt>
543.4550224

>  <Formula>
C21H20F7N3O4S

>  <Synonyms>
RG1678, RO4917838, RG-1678, RG 1678, RO-4917838, RO 4917838

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

$$$$
