
 OpenBabel04291915423D

 50 50  0  0  0  0  0  0  0  0999 V2000
   13.7224    2.7974    3.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5112    2.1837    2.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9734    1.2145    1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7623    0.6009    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2244   -0.3683   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0133   -0.9820   -1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350   -1.8663   -2.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -2.5333   -2.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9220   -3.3614   -3.7298 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8427   -4.1544   -4.6120 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6013   -5.1003   -5.6617 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150   -2.3410   -2.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7760   -1.4203   -1.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4921   -1.2322   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415   -0.2872   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222   -0.2548   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0752    0.6825    0.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7733   -0.6876   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059    0.7138    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804   -0.0656   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666    0.6459    0.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584   -0.9026   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722   -1.6142   -1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -0.9026   -1.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294   -0.0656   -0.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3971    3.4796    3.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3122    3.3215    2.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3106    2.0230    3.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9231    2.9581    1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9215    1.6596    3.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5616    0.4401    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5632    1.7387    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1741    1.3753    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1725    0.0767    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8126   -1.1427    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8142    0.1559   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4251   -0.2075   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235   -1.5061   -0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.7424   -1.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4143    0.6918   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4127   -0.6068    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493   -1.2338   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    0.0648   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782    0.0479   -1.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983   -1.0582   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806    1.3961    1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.2651    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346    1.0334   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -1.4458   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979   -0.6088   -0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END
>  <SKU>
A13685

>  <Product Name>
Xanomeline oxalate

>  <CAS>
141064-23-5

>  <M.Wt>
371.4518

>  <Formula>
C16H25N3O5S

>  <Synonyms>
LY246708

>  <URL>
https://www.adooq.com/xanomeline-oxalate.html

$$$$
