
 OpenBabel04291915453D

 96 98  0  0  0  0  0  0  0  0999 V2000
   -5.6556  -16.3455    1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5647  -15.1325    1.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0162  -15.5818    1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9254  -14.3688    1.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3769  -14.8182    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2861  -13.6051    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6106  -14.0152    1.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6015  -13.1036    1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3309  -11.9112    1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9351  -13.5164    1.2208 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8685  -12.6577    1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5502  -11.2550    1.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2678  -10.8580    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9718   -9.5536    0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6894   -9.1566    0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7030  -10.0640    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5366  -10.3476    0.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3816   -7.8001    0.6992 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0118   -7.3760    0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9548   -5.9012    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8059   -5.2981    0.4715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7559   -4.0057    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5680   -3.3820    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0537   -5.2120    0.4628 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3227   -5.8782    0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5163   -2.0457    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3284   -1.4220    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2767   -0.0856   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8923   -3.2930    0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9993    0.5850   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9606   -0.0665   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9456    1.9747   -0.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1594    2.7360   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3519    1.7972   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6059    2.5837   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5587    3.8053   -0.3605 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7992    1.9572   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9728    2.6933   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1653    1.7546   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7103    2.6232   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586    3.9596   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706    4.5833   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190    5.9196   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    6.5433   -0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6113    1.9340   -0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2021  -13.0705    1.1792 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425   -0.0815    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525   -0.0815    0.0076 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612    0.5197   -1.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612    0.7500    1.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225   -1.6868    0.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6338  -16.0292    1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8461  -17.0101    0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8467  -16.8511    2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3736  -14.6269    0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3742  -14.4679    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2074  -16.0874    2.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2068  -16.2465    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7343  -13.8632    0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7349  -13.7042    2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5681  -15.3237    2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5675  -15.4828    0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0949  -13.0996    0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0956  -12.9405    2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5098  -11.5554    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7299   -8.8562    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7313  -10.4102    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5083  -10.0015    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1048   -7.1348    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5212   -7.8297   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5218   -7.6707    1.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0490   -5.3122   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6313   -5.9657    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2343   -6.8537    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3896   -1.4980    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4551   -1.9697    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9207   -3.3780    0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1921    3.2708   -1.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1927    3.4298    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3192    1.2624    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3186    1.1034   -0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0055    3.2281   -1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0061    3.3872    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1320    1.0608   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0707    2.3225   -0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1326    1.2198    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5318    4.5073   -0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974    4.0356   -0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2922    6.4673   -0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    7.3374   -0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4191  -14.0268    1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9252  -12.4053    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859   -0.5030    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859   -0.6645   -0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859    0.9230   -0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -2.0689    0.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3  4  1  0  0  0  0
  3 57  1  0  0  0  0
  3 58  1  0  0  0  0
  4  5  1  0  0  0  0
  4 59  1  0  0  0  0
  4 60  1  0  0  0  0
  5  6  1  0  0  0  0
  5 61  1  0  0  0  0
  5 62  1  0  0  0  0
  6  7  1  0  0  0  0
  6 63  1  0  0  0  0
  6 64  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  3  0  0  0
 11 46  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  2  0  0  0  0
 14 66  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 67  1  0  0  0  0
 17 68  1  0  0  0  0
 18 19  1  0  0  0  0
 18 69  1  0  0  0  0
 19 20  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
 26 27  2  0  0  0  0
 26 75  1  0  0  0  0
 27 28  1  0  0  0  0
 27 76  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  2  0  0  0  0
 29 77  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 40  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 35 37  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 82  1  0  0  0  0
 38 83  1  0  0  0  0
 39 84  1  0  0  0  0
 39 85  1  0  0  0  0
 39 86  1  0  0  0  0
 40 41  2  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 41 87  1  0  0  0  0
 42 43  2  0  0  0  0
 42 88  1  0  0  0  0
 43 44  1  0  0  0  0
 43 89  1  0  0  0  0
 44 45  2  0  0  0  0
 44 90  1  0  0  0  0
 46 91  1  0  0  0  0
 46 92  1  0  0  0  0
 47 48  1  0  0  0  0
 47 93  1  0  0  0  0
 47 94  1  0  0  0  0
 47 95  1  0  0  0  0
 48 51  1  0  0  0  0
 48 50  2  0  0  0  0
 48 49  2  0  0  0  0
 51 96  1  0  0  0  0
M  END
>  <SKU>
A15057

>  <Product Name>
Dabigatran etexilate mesylate

>  <CAS>
872728-81-9

>  <M.Wt>
723.8389

>  <Formula>
C35H45N7O8S

>  <Synonyms>
Pradaxa, BIBR 1048MS, Dabigatran etexilate methanesulfonate

>  <URL>
https://www.adooq.com/dabigatran-etexilate-mesylate.html

$$$$
