
 OpenBabel04291915353D

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.5650   -0.1117   -2.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9835   -0.1415   -2.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465   -0.0794   -1.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668   -0.0927   -1.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7145   -0.1622   -2.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8418   -0.2184   -3.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -0.2051   -3.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -0.0099   -0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    0.0047    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -0.1754   -3.2018 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2710   -1.0806   -3.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -0.1473   -2.6872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7716   -0.1923   -3.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629   -0.2652   -4.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3509   -0.2906   -5.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633   -0.0768   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7463   -0.0226   -0.4242 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1546   -0.1633   -2.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1099   -0.2249   -4.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2725   -0.2852   -5.2136 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1064   -0.0386   -0.7334 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132    0.7935   -1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -0.9512   -1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    0.6980   -3.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352   -1.0467   -3.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7291   -0.1723   -3.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -0.2417   -4.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    0.9070    0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296   -0.7937    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -0.3009   -5.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7321   -0.3325   -6.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3064    0.7419   -2.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3061   -1.0028   -2.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9655    0.5754   -4.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0618   -0.2049   -3.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
>  <SKU>
A10637

>  <Product Name>
Nepicastat (free base) (SYN-117)

>  <CAS>
173997-05-2

>  <M.Wt>
295.3508064

>  <Formula>
C14H15F2N3S

>  <Synonyms>
RS-25560-197, SYN117

>  <URL>
https://www.adooq.com/nepicastat-free-base.html

$$$$
