
 OpenBabel04291915333D

 58 61  0  0  1  0  0  0  0  0999 V2000
   10.3623    0.6038   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273    2.0811   -0.1731 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4559    2.3907    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381    2.3056   -1.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276    3.5439   -1.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    3.7473   -2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8078    2.7124   -3.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2183    1.4741   -3.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9334    1.2707   -2.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821    0.3320   -4.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5603    0.2182   -4.3015 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    0.5398   -5.4169 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3884   -0.7869   -3.6972 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6594    5.1139   -3.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810    5.5861   -2.2261 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166    5.9076   -3.3415 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    5.0745   -4.3348 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2288    2.8353   -0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2501    4.2429   -0.0500 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2614    4.5912   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6347    4.5855    1.2969 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6234    4.2372    1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4067    3.9382    2.3673 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    4.2695    3.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8343    5.7763    3.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5043    4.8682   -1.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3847    2.4810    2.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1630    1.8284    3.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2773    0.5350    3.2813 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9595   -0.0369    4.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4962    0.6450    5.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0738   -1.3304    4.2541 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7309    2.5499    4.1726 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6569    6.0546    1.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1613    6.5906    2.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1815    7.9219    2.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6859    8.4579    3.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702    7.6627    4.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1726    6.8498    0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053    9.7387    4.0901 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569    0.0355   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9321    0.4417    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9337    0.2942   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0617    4.3392   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2582    2.8688   -4.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2489    0.3191   -1.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3735    3.7983    4.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8002    3.9212    3.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7368    6.2180    4.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2168    6.3900    4.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179    2.2398    1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    2.1327    2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1604   -2.3108    4.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9294    3.4317    4.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7650    5.9796    3.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5778    8.5329    2.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    7.4249    5.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6199    7.0876   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  1  0  0  0
  2 18  1  0  0  0  0
  2  1  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 44  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 46  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  6  0  0  0
 21 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  1  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 35  2  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 35 55  1  0  0  0  0
 36 37  2  0  0  0  0
 36 56  1  0  0  0  0
 37 40  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 57  1  0  0  0  0
 39 58  1  0  0  0  0
M  END
>  <SKU>
A10083

>  <Product Name>
Aprepitant (MK-0869)

>  <CAS>
170729-80-3

>  <M.Wt>
534.4266624

>  <Formula>
C23H21F7N4O3

>  <Synonyms>
MK0869, MK-869, L-754030, Emend 

>  <URL>
https://www.adooq.com/aprepitant-mk-0869.html

$$$$
