
 OpenBabel04291915373D

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.5699    0.8844    0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    0.3165    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3676   -0.6469   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313   -1.1615   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -2.1250   -2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709   -2.5738   -2.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280    0.7654    0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710    1.8286    1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557    2.1436    2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540    1.5449    1.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    3.1546    3.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0551    3.4400    3.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    4.3795    4.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455    5.0336    4.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7007    2.0017    1.9409 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465    2.5768    2.5021 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328    2.8183    0.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312    1.0821    2.7872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    3.1530    3.0631 N   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9537    2.6186    2.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1416    3.0673    2.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2780    2.5542    2.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4269    2.9881    2.9055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8921    3.0980    3.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2210    1.4928    1.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2086    4.3149    4.1958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -2.6419   -2.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948   -3.6370   -3.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -0.7106   -0.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.0694   -0.0673 Na  0  3  0  0  0 15  0  0  0  0  0  0
    6.4093    0.4086    0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6037    0.7193    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    1.9355    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2805   -0.9918   -0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225   -3.1480   -3.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5604    2.7069    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    1.4907    2.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    4.5988    4.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    5.7407    5.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1992    1.2652    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7114    1.8326    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7111    0.6141    1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011   -4.6555   -3.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -3.9521   -4.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 16 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  CHG  2  19  -1  30   1
M  END
>  <SKU>
A11564

>  <Product Name>
Sitaxsentan sodium (TBC-11251)

>  <CAS>
210421-74-2

>  <M.Wt>
476.88633

>  <Formula>
C18H14ClN2NaO6S2

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/sitaxsentan-sodium-tbc-11251.html

$$$$
