Acadesine.cdx
csChFnd80/01301310152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.7496    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4496    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090    2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    4.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    4.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    0.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8011    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8379    3.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0912    1.0955    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  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  6  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  6  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1)
552

>  <Formula> (1)
C9H14N4O5

>  <MolWeight> (1)
258.23126

>  <Item Name> (1)
Acadesine

>  <Catalog Number> (1)
S1802

>  <Synonyms> (1)
AICAR, AICA-riboside

>  <Target> (1)
AMPK

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

>  <CAS Number> (1)
2627-69-2, 681006-28-0 (xH3O4P)

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