
 OpenBabel04291915403D

 58 61  0  0  1  0  0  0  0  0999 V2000
    1.4441    2.6834    1.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    2.6836    1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4421    1.5227    2.3581 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    1.3038    2.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    2.1049    2.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2804    0.1738    3.1653 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    3.9134    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6907   -0.0511    3.3003 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9268   -1.3399    4.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4212   -1.5781    4.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441   -2.7944    4.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5282   -3.5685    5.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3194    1.1110    4.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9472   -3.2250    5.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021   -2.5626    4.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1775   -4.4816    5.9501 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7342   -4.4031    6.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5488   -5.6436    5.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693   -5.3599    5.0281 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372   -5.2480    6.4126 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5323   -4.0660    4.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365   -6.7146    4.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161   -6.7202    3.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607   -7.7469    3.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403   -7.7525    2.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753   -6.7315    3.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015   -7.7356    3.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2849   -8.7792    2.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645   -8.7848    2.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -7.7638    2.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9257   -8.7679    2.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2441  -10.1166    1.2279 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5735   -4.7041    6.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    2.6986    2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877    1.8021    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204    3.5648    2.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    2.6683    0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022    0.8803    2.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081    4.8103    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479    4.3010    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1340   -0.1295    2.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4843   -2.1579    3.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4836   -1.2614    5.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637   -0.7601    4.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8645   -1.6566    3.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427   -3.8459    6.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445   -4.4844    5.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126    1.8105    4.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108    1.9003    3.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150   -6.5509    5.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921   -5.7220    4.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1282   -5.9356    4.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2085   -6.1889    3.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6683   -8.2782    3.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8728   -9.5638    2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -7.2212    2.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925   -9.3105    2.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9753   -4.7752    5.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 24 31  1  0  0  0  0
 25 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END
>  <SKU>
A12871

>  <Product Name>
Letaxaban (TAK-442)

>  <CAS>
870262-90-1

>  <M.Wt>
479.97694

>  <Formula>
C22H26ClN3O5S

>  <Synonyms>
TAK 442; TAK442

>  <URL>
https://www.adooq.com/letaxaban-tak-442.html

$$$$
