
 OpenBabel04291915343D

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.7831   14.2973    0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2926   14.1192    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277   12.6389    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372   12.4608    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722   10.9804    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817   10.8024    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    9.3220    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8262    9.1440    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    7.7006    0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353    7.3026    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7313    5.9947    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137    5.5967    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0001    6.5066    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665    6.7907    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3403    4.1534    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8498    3.9753    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1848    2.4950    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5975    1.7752    1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1461    2.3193    2.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5977    1.9125   -1.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875    2.0789   -1.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6447    2.3228    0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452    0.0835    0.0045 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   15.3394    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697   13.7905    1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3698   13.8873   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   14.5292    1.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061   14.6259   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143   12.2288   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2142   12.1321    1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5505   12.8708    1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506   12.9675   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   10.5704   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587   10.4737    1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950   11.2124    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3951   11.3091   -0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9034    8.9120   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9033    8.8153    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    9.5540    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2396    9.6507   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1933    8.0018    0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9732    5.2955    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9718    6.8537    0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    6.4437    0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9270    3.7434   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9269    3.6467    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2631    4.3853    1.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2632    4.4821   -0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8334    0.7331    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5349    1.9005    1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1094    2.2057    2.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8335    0.8704   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0111    2.4193   -1.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8127    1.6195   -0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0388    2.8058   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8695    1.3294    0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    0.0835    0.0045 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
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 42  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 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
M  END
>  <SKU>
A10408

>  <Product Name>
FTY720 (Fingolimod)

>  <CAS>
162359-56-0

>  <M.Wt>
343.93176

>  <Formula>
C19H34ClNO2

>  <Synonyms>
Gilenia

>  <URL>
https://www.adooq.com/fty720-fingolimod.html

$$$$
