
 OpenBabel04291915373D

 52 54  0  0  0  0  0  0  0  0999 V2000
   -4.0519   -3.7234    3.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831   -4.7650    4.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4471   -5.5941    4.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8003   -6.6014    5.5861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323   -7.5614    6.3974 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9031   -6.6497    7.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9012   -8.2597    5.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735   -8.7430    7.3983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0524   -9.6282    8.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4615  -10.5484    8.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2105  -11.4003    9.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390  -12.2903   10.3988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3433  -12.3563   10.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3280   -8.8043    7.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5563  -11.3317    9.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3299  -12.2116   10.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8019  -11.9240   10.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9213  -12.7353   10.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6457  -13.5593   11.4569 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9414  -13.4932   11.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6904  -14.3452   12.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0995  -15.2654   12.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4928  -11.8454   10.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6079  -14.2474   12.0304 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208  -10.6218    8.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300  -11.5420    9.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902  -11.6103    9.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993  -12.5305   10.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483  -13.3824   11.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719   -9.7699    8.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182  -12.6282   10.6976 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029   -3.1398    2.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624   -3.0842    3.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6611   -4.2131    2.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7739   -4.2753    4.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725   -5.4042    3.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0563   -6.0837    4.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0576   -4.9549    5.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -6.1346    6.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -8.7936    7.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641  -12.8722   10.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1115  -12.0881   11.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1087  -13.2164   10.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0203  -12.0476    9.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0231  -10.9193   10.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3955  -12.7861   10.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0423  -16.0521   13.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055  -12.1967   10.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146  -10.9556    9.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424  -14.1566   11.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0777   -8.9958    7.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  2  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
>  <SKU>
A11492

>  <Product Name>
Macitentan

>  <CAS>
441798-33-0

>  <M.Wt>
588.2729

>  <Formula>
C19H20Br2N6O4S

>  <Synonyms>
ACT 064992, ACT-064992, ACT064992

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

$$$$
