
 OpenBabel04291915403D

 50 52  0  0  0  0  0  0  0  0999 V2000
   -6.8080    1.8918   -8.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0384    1.5775   -7.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9939    1.3926   -6.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026    1.1066   -4.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4559    1.0056   -4.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6646    0.7196   -3.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6476    0.5502   -2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8563    0.2642   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0683    0.1665   -0.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0785    0.3454   -1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8766    0.6219   -2.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3817    0.2403   -0.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7702    0.0719   -0.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6109    1.5041   -6.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6787    1.2662   -5.6601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057    1.3179   -5.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330    1.0953   -4.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    1.1449   -5.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    1.4172   -6.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    1.4669   -6.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8581    1.5902   -7.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318    1.2432   -5.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    1.2945   -5.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    1.6408   -7.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    1.9221   -8.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390    1.0939   -4.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403    1.3227   -5.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7491    2.0073   -8.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2597    1.0945   -8.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2490    2.8007   -8.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4000    0.9645   -4.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2585    1.1477   -5.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1474    0.3759   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5347    0.0307    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9232   -0.1377    0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8514    0.1460   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4570    2.4860   -7.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4615    0.7800   -7.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    1.0666   -4.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770    0.8860   -3.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3892    1.7826   -8.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    1.0931   -4.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    2.2681   -6.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    0.5620   -6.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    2.0694   -9.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128    1.1038   -9.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173    2.8099   -8.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3389    1.2415   -5.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902    0.5985   -6.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873    2.3047   -6.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
>  <SKU>
A12796

>  <Product Name>
Trimetrexate

>  <CAS>
52128-35-5

>  <M.Wt>
369.41762

>  <Formula>
C19H23N5O3

>  <Synonyms>
CI-898, CI898, CI898

>  <URL>
https://www.adooq.com/trimetrexate.html

$$$$
