
 OpenBabel04291915413D

 87 89  0  0  1  0  0  0  0  0999 V2000
   11.0813   -4.1041    6.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093   -5.0724    7.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2335   -4.8371    9.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6204   -5.7150   10.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2831   -6.8283    9.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6700   -7.7062   10.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1224   -4.1944    6.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3063   -8.7780   10.3468 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5022   -3.6085    9.5511 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0608   -2.7486    9.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3206   -3.5844   11.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705   -2.3244   11.4600 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4427   -2.3074   12.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2084   -2.3099   10.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -2.3339    9.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -3.5948    8.9145 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1275   -3.6125    7.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490   -3.6398    6.8408 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8761   -3.5992    6.9013 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823   -3.5673    7.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828   -3.6174    5.4699 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1169   -4.5653    5.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538   -2.5143    4.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3743   -3.3990    5.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0162   -2.3734    4.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7259   -2.1970    3.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -3.0462    4.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1518   -4.0718    5.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4421   -4.2482    5.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230   -5.0090    5.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340   -4.3386    6.4348 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -5.5921    4.6824 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039   -5.9373    6.4622 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308   -1.0652    3.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6747    0.0815    3.6546 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486   -1.1720    1.9022 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0144   -1.0894    2.8868 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3379   -1.1431   11.0399 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9951   -1.2552    9.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7718    0.0192    9.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131   -0.0903    8.1633 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567   -1.2833    7.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3547   -0.9428   12.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1896    0.9646    7.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3235    1.9855    8.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8521    0.8515    6.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748   -0.0823    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848   -0.0823    0.0508 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935   -0.1248   -1.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935    1.1844    0.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -1.4541    0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025   -4.3623    6.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7688   -4.1319    6.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635   -3.1190    7.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4085   -5.5342   11.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4951   -7.0091    8.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8251   -3.5197    6.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2794   -3.5946   11.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7620   -4.4443   11.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804   -1.4228   11.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -3.1697   11.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107   -1.4547    8.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4386   -2.3597    8.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9447   -3.5575    8.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -4.4337    7.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213   -2.6869    7.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842   -2.5279    3.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6707   -2.6720    5.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3197   -1.5664    5.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   -1.7208    3.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021   -2.9107    4.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -5.0363    6.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2550   -1.4010    8.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -2.0882    9.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5119    0.1650   10.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1003    0.8521    9.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1107   -1.8205    7.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7252   -1.5792    6.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188   -1.7361   12.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5444   -0.2423   12.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6242   -0.1000    5.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9111    0.9429    6.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4994    1.6300    5.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181   -0.0525    1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181   -0.9705   -0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181    0.7760   -0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -1.4271    1.8120 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  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
  5 56  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 57  1  0  0  0  0
  9 11  1  0  0  0  0
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  9 10  1  6  0  0  0
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 17 18  2  0  0  0  0
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 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  6  0  0  0
 21 24  1  0  0  0  0
 21 19  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 70  1  0  0  0  0
 26 34  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 28 29  2  0  0  0  0
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 30 33  1  0  0  0  0
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 48 51  1  0  0  0  0
 48 50  2  0  0  0  0
 48 49  2  0  0  0  0
 51 87  1  0  0  0  0
M  END
>  <SKU>
A13103

>  <Product Name>
GW679769 (Casopitant)

>  <CAS>
414910-27-3 (Casopitant free base); 414910-30-8 (Casopitant mesylate)

>  <M.Wt>
712.7189824

>  <Formula>
C31H39F7N4O5S

>  <Synonyms>
GW 679769, GW-679769 

>  <URL>
https://www.adooq.com/gw679769-casopitant.html

$$$$
