
 OpenBabel04291915453D

 62 64  0  0  0  0  0  0  0  0999 V2000
   13.7855    3.2004   14.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0505    2.9319   13.6631 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0058    2.6986   12.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2458    2.4211   11.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2336    2.1799   10.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1092    0.9846   10.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2037    4.0878   13.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4736    1.9023    8.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3749    1.6822    7.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9252    1.4144    6.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7979    1.2013    5.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3503    0.9358    4.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0299    0.8835    4.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5823    0.6180    2.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3729    1.6799    7.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054    0.5674    2.6469 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8725    0.3107    1.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    0.2600    1.2178 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1573    1.0966    5.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228    1.3727    6.4024 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7153    1.5943    7.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629    1.8597    8.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2902    2.0718    9.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9699    2.0183    9.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5223    1.7529    8.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5879    1.3823    6.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7210    2.3218   10.8663 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.4332    1.9112    8.9088 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1242    1.2539    5.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0255    1.0337    4.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732    0.0201    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -0.2019   -0.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322    0.2881    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535   -0.6283    2.2582 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    1.4957    1.8047 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    0.2374    1.1117 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    0.0201    0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020    2.3590   15.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0902    3.3702   15.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.0673   14.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6222    1.8573   12.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6197    3.5656   12.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    3.2625   11.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6319    1.5541   11.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8474    3.0468   10.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1774    1.0481   10.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2136   -0.0528   10.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5006    5.0902   13.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    4.4138   13.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8571    2.7437    8.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8597    1.0353    8.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0209    0.7720    3.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7168    1.8839    8.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5432    0.1469    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5907    1.4110    6.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6342    2.2758   10.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5530    1.6772    7.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3795    1.2451    5.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0240    1.1150    5.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8732    1.7625    4.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8745    0.0539    4.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907    0.1895    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7 48  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 28  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 56  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 29 30  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 37  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 36  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
 37 62  1  0  0  0  0
M  END
>  <SKU>
A15272

>  <Product Name>
Vandetanib trifluoroacetate

>  <CAS>
338992-53-3

>  <M.Wt>
589.3773128

>  <Formula>
C24H25BrF4N4O4

>  <Synonyms>
Zactima trifluoroacetate, ZD6474 trifluoroacetate, ZD-6474 trifluoroacetate, ZD 6474 trifluoroacetate

>  <URL>
https://www.adooq.com/vandetanib-trifluoroacetate.html

$$$$
