
 OpenBabel04291915473D

 57 57  0  0  0  0  0  0  0  0999 V2000
   16.4612   -2.2885   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0310   -2.1790   -0.2410 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2203   -3.3559   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4277   -0.9268   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0888   -0.8244   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5087    0.3798    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1698    0.4823    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4109   -0.6194   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1866    0.1749    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5665    1.7345    0.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    1.8410    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5941    3.0452    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5100    1.8335    0.1921 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    3.1477    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6751    4.3518    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4339    5.4535    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    0.7393    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827    4.4584    0.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4721    3.2815    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6631    5.7447    0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -0.0930   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747   -0.0930   -0.0099 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    0.7546   -1.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    0.4900    1.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3447   -1.6961   -0.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -0.0930   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747   -0.0930   -0.0099 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    0.7546   -1.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    0.4900    1.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3447   -1.6961   -0.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8944   -1.3156   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7770   -2.7223   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7791   -2.9091    0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511   -4.2151   -0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6016   -3.2717   -1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6037   -3.4585    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5056   -1.6710   -0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5409   -1.1715   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0566    0.7269    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229    2.5421    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    2.3010    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6372    6.4595    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2121   -0.2667   -0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    2.4223    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8534    3.3657   -0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554    3.1789    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4189    6.4978    0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551    5.7544    1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    5.9412   -0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -0.6873    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -0.5019   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081    0.9101    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214   -2.2349    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -0.6873    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -0.5019   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081    0.9101    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214   -2.2349    0.5579 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  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 30  1  0  0  0  0
 27 29  2  0  0  0  0
 27 28  2  0  0  0  0
 30 57  1  0  0  0  0
M  END
>  <SKU>
A16124

>  <Product Name>
TRx0237 (LMTX) mesylate

>  <CAS>
1236208-20-0

>  <M.Wt>
477.61848

>  <Formula>
C18H27N3O6S3

>  <Synonyms>
Leucomethylene blue Mesylate

>  <URL>
https://www.adooq.com/trx0237-lmtx-mesylate.html

$$$$
