
 OpenBabel04291915353D

 52 52  0  0  1  0  0  0  0  0999 V2000
    0.9493   -0.0177   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922   -0.0177   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636    0.2196    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    0.4569    2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493    0.4569    2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778   -0.2549   -1.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.2549   -1.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -0.5473   -2.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -0.5473   -2.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643   -0.7846   -3.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1631   -0.7846   -3.7643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8124   -1.0141   -4.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1410   -1.2357   -5.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8124   -1.4730   -7.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1986   -1.6899   -8.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1112   -1.4730   -7.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7606   -1.2435   -5.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1112   -1.0141   -4.8654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1571   -1.2435   -5.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4076    0.2196    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0214    0.0027    0.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059    0.4664    2.2382 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404    0.4664    2.2382 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8971   -0.4918    1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0471    1.5351    1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404    1.2428   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    2.2848   -1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7401    3.1976   -0.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085    2.2303   -2.3581 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0344    0.7514    3.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367    0.9418    4.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3607    0.8017    3.8473 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9493   -0.0177   -0.0843 Na  0  3  0  0  0 15  0  0  0  0  0  0
    0.9493   -0.0177   -0.0843 Na  0  3  0  0  0 15  0  0  0  0  0  0
    0.4333    0.1647    0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082   -0.2000   -0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    0.6392    3.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921    0.6192    2.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609    0.7032   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -1.0073   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -1.5055   -2.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542    0.2050   -3.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -0.9669   -4.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6553   -0.6106   -2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6034   -0.8401   -4.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6493   -1.0696   -5.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6493   -1.4175   -6.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136    0.6403    3.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1171    1.5351    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    2.4933    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4704    1.2428   -0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971    0.2846   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  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
  3 20  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 30  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  6  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  2  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  4  29  -1  32  -1  33   1  34   1
M  END
>  <SKU>
A10707

>  <Product Name>
Pemetrexed (Alimta)

>  <CAS>
150399-23-8

>  <M.Wt>
471.3743

>  <Formula>
C20H19N5Na2O6

>  <Synonyms>
LY-231514, LY231514 

>  <URL>
https://www.adooq.com/pemetrexed-alimta.html

$$$$
