S4654 Netupitant.cdx
csChFnd80/09221614262D

 41 44  0  0  0  0  0  0  0  0999 V2000
    8.4719    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    6.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8967    5.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    6.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4719    8.1590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402    8.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    8.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594   10.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0466   10.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484   10.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    8.8629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   10.9612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   12.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   13.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   12.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   10.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   10.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   12.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936   13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   12.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   10.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053   10.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730   13.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3843    7.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    8.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9843    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8873    3.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5866    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837    3.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6847    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876    3.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7876    4.8485    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876    3.6361    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4977    2.6461    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0847    1.2124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3847    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
  8 19  1  0  0  0  0
  5  7  1  0  0  0  0
  2 26  1  0  0  0  0
  5 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
  2 28  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  0  0  0  0
M  END
>  <Mol_ID> (1)
60

>  <Formula> (1)
C30H32F6N4O

>  <MolWeight> (1)
578.5916992

>  <Item Name> (1)
Netupitant

>  <Catalog Number> (1)
S4654

>  <Synonyms> (1)
CID6451149, CID 6451149, CID-6451149

>  <Target> (1)
Substance P

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (1)
290297-26-6

$$$$
