
 OpenBabel04291915453D

 51 54  0  0  1  0  0  0  0  0999 V2000
   -0.1689    6.8772   -3.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    5.9357   -3.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4493    4.5856   -4.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701    3.6750   -4.3960 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472    2.3693   -4.8234 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3718    8.2273   -2.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061    1.4278   -5.1076 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0376    1.2527   -3.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    2.5269   -3.4302 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    2.0114   -6.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    2.6195   -2.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6105    1.6106   -1.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595    3.9021   -1.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6268    3.9912   -0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    5.1842   -0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709    5.2733    0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    6.4663    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    2.7092   -2.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    4.2113    1.4006 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6457    4.0363   -0.7554 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9289    2.8433   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268    2.9360    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0174    1.8321    1.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    1.9210    2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2633    3.1139    3.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9728    4.2177    2.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9586    2.8470    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4715    3.2537    5.0308 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    0.6845    1.4403 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    0.1665   -5.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801    6.4663   -2.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    7.0004   -4.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753    5.8124   -2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6012    6.3465   -4.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360    4.7088   -5.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1619    4.1747   -3.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    3.5575   -3.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854    1.5719   -5.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372    8.5433   -1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4964    9.2620   -3.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8534    0.5899   -4.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    0.8419   -3.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953    2.7827   -6.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    1.6257   -7.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017    7.2726    1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    1.9028   -2.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5794    1.9687   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0089    1.0728    3.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    5.1964    2.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626    2.6105   -0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1469   -0.2059   -4.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
>  <SKU>
A15050

>  <Product Name>
Cobimetinib (racemate)

>  <CAS>
934662-91-6

>  <M.Wt>
531.3100196

>  <Formula>
C21H21F3IN3O2

>  <Synonyms>
GDC-0973 racemate, XL-518, GDC 0973, XL 518, GDC0973, XL518

>  <URL>
https://www.adooq.com/cobimetinib-racemate.html

$$$$
