
 OpenBabel04291915383D

 63 66  0  0  1  0  0  0  0  0999 V2000
   10.3588    0.5441   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0237    1.8681   -0.9371 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4523    2.4723   -0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2345    1.6164   -2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8240    2.6467   -2.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1089    2.4186   -4.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    1.1602   -4.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147    0.1298   -3.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9299    0.3580   -2.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8786   -1.2589   -4.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567   -1.3994   -4.0736 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3924   -1.5168   -5.2284 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848   -2.1068   -3.1382 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6559    3.5556   -4.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8774    4.3552   -4.1487 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131    4.2378   -5.3036 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9706    3.0944   -5.9148 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    2.5445   -1.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254    3.8077   -0.6355 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2773    4.2444   -0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1851    3.6258    0.8671 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2332    3.1891    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2536    2.7423    1.3556 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1180    2.5665    2.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    3.9186    3.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2932    4.6611   -1.1074 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    1.4348    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2272    0.5441    1.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3260   -0.6684    0.7296 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2700   -1.4490    1.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0689   -1.0407    1.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3689   -2.6614    0.7064 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0724    0.9760    2.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6369   -3.7099    1.2861 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.8140   -4.0006    2.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4487   -4.7108   -0.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8944   -4.7496    1.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2896    4.9441    1.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    5.0281    2.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2888    6.2226    3.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1933    6.3066    4.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0032    5.1960    5.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4798    6.0547    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    7.4559    5.3993 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4534    0.0344   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9286    0.7258    0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302   -0.0601   -0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0581    3.6138   -2.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2547    0.9849   -5.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2453   -0.4338   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8957    1.9234    3.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    2.1298    3.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    4.3018    3.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8515    4.2295    4.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2487    1.5627   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1980    0.9981    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3990    1.6956    2.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0336   -4.3936   -0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6167   -4.7718    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0480    4.1746    3.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350    7.0761    2.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8686    4.6328    6.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6144    6.6179   -0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  1  0  0  0
  2 18  1  0  0  0  0
  2  1  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 48  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 50  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  6  0  0  0
 21 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  1  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
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 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
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 42 62  1  0  0  0  0
 43 63  1  0  0  0  0
M  END
>  <SKU>
A11756

>  <Product Name>
MK-0517 (Fosaprepitant)

>  <CAS>
172673-20-0

>  <M.Wt>
614.4065634

>  <Formula>
C23H22F7N4O6P

>  <Synonyms>
MK-0517, L-758,298

>  <URL>
https://www.adooq.com/mk-0517-fosaprepitant.html

$$$$
