AMINOPHYLLINE (aminophylline).cdx
csChFnd80/01291314562D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    5.1382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    4.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914    6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4229    4.9924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2458    6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4229    7.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    7.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    4.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    3.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    8.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  6 13  2  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
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  2  0  0  0  0
 16 25  1  0  0  0  0
 19 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1)
473

>  <Formula> (1)
C16H24N10O4

>  <MolWeight> (1)
420.42636

>  <Item Name> (1)
Aminophylline (Truphylline)

>  <Catalog Number> (1)
S1673

>  <Synonyms> (1)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (1)
PDE

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

>  <CAS Number> (1)
317-34-0 

$$$$
