
 OpenBabel04291915413D

 67 70  0  0  1  0  0  0  0  0999 V2000
   14.2707   -7.6578   -1.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1564   -7.0342   -0.7667 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2332   -6.2971   -1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751   -6.1829   -2.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1115   -5.6693   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -4.9605   -1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1806   -4.3767   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2928   -3.6679   -1.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4481   -3.5429   -3.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562   -5.7943    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496   -3.0840   -1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3618   -2.3752   -1.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5171   -2.2503   -3.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0252   -4.5016    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2107   -1.7309   -1.1026 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7196   -0.7422   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645   -1.4762    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0448   -0.5431    1.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4241    0.3506    5.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9744   -0.5229    4.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2271   -0.1106    3.8044 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7922   -0.9554    2.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214   -1.0453   -2.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7161   -1.1006   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2530    0.1572   -0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9318    0.3913   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4686    1.6491   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3266    2.6728   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0373   -1.3347   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0947    1.8925   -0.8573 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131    3.2005   -0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    4.1363   -0.6442 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560    3.4638   -0.8348 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8975    3.8046   -1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888    4.5295    0.1850 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0473    4.1887    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298    5.7772   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    6.8107   -0.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788    5.7772   -0.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    4.7817    0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4460    2.2683   -0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8654   -8.1745   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8654   -6.9103   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9124   -8.3538   -2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0425   -7.1258    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3431   -4.8645   -2.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2225   -3.2300   -3.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818   -6.1072    1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303   -3.1801   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2915   -1.9373   -4.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509   -4.8146    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885   -0.2770    0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3143    0.0053   -0.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956   -1.9414    0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698   -2.2237    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2227   -1.5218    4.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0405   -1.9543    2.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966   -1.6762   -2.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568   -1.8873   -1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9123    0.9439   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2725   -0.3954   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3776    3.6994   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9029   -1.8965   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658    1.1421   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    6.5661   -0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584    5.0906   -0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4924    2.4406   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 45  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  2  0  0  0  0
 11 49  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 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  2  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  2  0  0  0  0
 26 61  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 31  1  0  0  0  0
 30 64  1  0  0  0  0
 31 32  2  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  6  0  0  0
 33 41  1  0  0  0  0
 33 31  1  0  0  0  0
 35 40  1  0  0  0  0
 35 37  1  0  0  0  0
 35 36  1  1  0  0  0
 37 39  1  0  0  0  0
 37 38  2  0  0  0  0
 39 65  1  0  0  0  0
 40 66  1  0  0  0  0
 41 67  1  0  0  0  0
M  END
>  <SKU>
A13515

>  <Product Name>
TAK-700 Salt  (Orteronel Salt)

>  <CAS>
426219-53-6

>  <M.Wt>
532.54452

>  <Formula>
C28H28N4O7

>  <Synonyms>
TAK 700, TAK700

>  <URL>
https://www.adooq.com/tak-700-orteronel-salt.html

$$$$
