
 OpenBabel04291915473D

 56 58  0  0  1  0  0  0  0  0999 V2000
   21.3850   -0.3372    2.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247    0.1203    3.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1304    0.0211    3.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3892    0.4672    4.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0028    0.8388    5.8997 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9927    0.4650    4.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2942    0.8854    6.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955    0.8833    6.0385 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3459    1.2742    7.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0471    1.2721    7.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3976    1.6631    8.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501    0.4839    4.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0992    0.8770    6.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4497    1.2679    7.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0988    1.6610    8.1486 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    2.0928    9.3133 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8870    1.9936    9.0535 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5220    0.5520    8.7392 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2822    0.0944    7.5050 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7224    3.4396    9.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172   -1.3472    7.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6274   -1.7747    6.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2120   -3.4155    5.6799 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.5445   -3.5868    4.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1260    0.4593    8.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7966   -5.0563    5.3221 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1933    2.4111   10.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8443    2.4089   10.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2307    2.0374    9.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1031    2.8551   11.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6087    2.7558   11.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8485    3.2134   12.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9502    0.0124    0.0858 Na  0  3  0  0  0 15  0  0  0  0  0  0
   22.4369   -0.2674    2.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1251    0.2857    1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280   -1.3521    2.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8817    1.1352    4.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8846   -0.5026    4.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8734   -0.9937    3.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8705    0.6440    2.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5006    0.1670    4.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8617    1.5866    7.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177    1.2663    7.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    1.4699   10.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272    2.6165    8.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818   -0.0710    9.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6418   -0.0395    6.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8653   -1.4171    7.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1771   -1.9701    8.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3600    3.8699   11.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    2.2322   12.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    1.7410   10.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489    3.3787   10.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    2.5905   13.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965    3.1436   12.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1054    4.2282   12.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 44  1  0  0  0  0
 17 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  CHG  2  26  -1  33   1
M  END
>  <SKU>
A15914

>  <Product Name>
Dibutyryl-cAMP

>  <CAS>
16980-89-5

>  <M.Wt>
491.367451

>  <Formula>
C18H23N5NaO8P

>  <Synonyms>
Bucladesine sodium salt

>  <URL>
https://www.adooq.com/dibutyryl-camp.html

$$$$
