
 OpenBabel04291915453D

 56 58  0  0  1  0  0  0  0  0999 V2000
    3.0007   -0.5198    1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.0328    0.0908 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8508   -0.6831   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008    1.3779   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    2.1862    0.7974 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308    1.3779   -0.1613 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    1.8040   -1.3406 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -0.0328    0.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   -1.1373    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -1.3079    1.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734   -2.4079    2.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -3.3372    1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729   -3.1665   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031   -0.0373    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931   -4.7887    1.7310 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -5.5587    2.7579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268   -4.3827    2.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0940   -5.8394    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573   -0.3087    2.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702    0.6968    2.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -0.4862    4.0795 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    0.5065    5.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271    0.0742    6.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307    1.0669    7.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    2.2419    6.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.6612    4.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    0.8894    8.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.8187    9.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0177    1.6474   10.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872    0.5469   11.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222   -0.3824   10.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3054    1.0550    7.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563    0.3580   12.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0454    0.3367   13.4809 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8374    1.3605   13.1284 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.7928   12.8759 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610    2.8774    9.2794 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -0.5198    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441   -1.5129    1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441    0.1304    2.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312   -2.5391    3.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7527   -3.7772   -0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111    0.8522   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6728   -5.2995   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282   -6.7159    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588   -6.1241   -0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164    1.4411    4.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304    0.6165    5.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227   -0.8605    6.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912   -0.0359    6.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    2.3738    7.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498    3.3073    7.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329   -2.6178    4.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234   -2.1750    4.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    2.3616   11.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -1.2726   10.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  6  0  0  0
  2  8  1  0  0  0  0
  2  1  1  0  0  0  0
  4  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  2  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 33 36  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <SKU>
A15022

>  <Product Name>
Bitopertin (R enantiomer)

>  <CAS>
845614-12-2

>  <M.Wt>
543.4550224

>  <Formula>
C21H20F7N3O4S

>  <Synonyms>
RG1678 (R enantiomer), RG 1678 (R enantiomer), RG-1678 (R enantiomer), RO4917838 (R enantiomer)

>  <URL>
https://www.adooq.com/bitopertin-r-enantiomer.html

$$$$
