
 OpenBabel04291915363D

 40 43  0  0  1  0  0  0  0  0999 V2000
   14.2890   -7.5222    1.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1732   -6.6820    2.2959 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2491   -6.3325    1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3916   -6.7441    0.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1260   -5.4868    1.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2374   -5.1506    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1929   -4.3641    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -4.0280    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600   -4.4783   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9702   -5.0365    2.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597   -3.2415    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3711   -2.9053   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5269   -3.3556   -1.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0370   -3.9138    2.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184   -2.0374   -0.2574 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7251   -0.7014    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706   -0.9278    1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488    0.3331    1.9929 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4245    2.7421    5.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9768    1.5617    4.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2293    1.5182    3.4969 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    0.3766    3.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -1.8259   -1.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8842   -7.6815    2.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8826   -7.0489    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9323   -8.4626    1.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0590   -6.3519    3.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3571   -5.4967   -0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344   -4.6017   -2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1958   -4.9131    3.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1400   -2.8955    1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012   -3.4790   -2.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627   -3.7905    3.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8928   -0.0747    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187   -0.2282   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4029   -1.5544    1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770   -1.4010    2.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2268    0.6892    5.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464   -0.4959    3.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -2.6785   -1.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  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 28  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 12  1  1  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 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  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 38  1  0  0  0  0
 21 22  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
>  <SKU>
A11044

>  <Product Name>
TAK-700 (Orteronel)

>  <CAS>
566939-85-3, 426219-18-3

>  <M.Wt>
307.34648

>  <Formula>
C18H17N3O2

>  <Synonyms>
TAK700

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

$$$$
