Saxagliptin hydrochloride dihydrate
  -molcms-05182608502D

 26 27  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2736    1.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    2.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    3.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    3.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    3.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5310    2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310    2.3926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0317    3.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0317    3.2574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6189    2.4480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3091    1.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9994    0.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5701    2.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    3.7563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3637    4.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6201    4.0660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5323    4.1246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0304    1.5262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311    2.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.7346    0.0000 O   0  0  0  0  0  0  0  0  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  3  0  0  0  0
 14 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 13  1  0  0  0  0
 20 18  1  0  0  0  0
 12 21  2  0  0  0  0
 11 22  1  1  0  0  0
 10 23  1  0  0  0  0
 23  5  1  0  0  0  0
 10 24  1  0  0  0  0
 24  3  1  0  0  0  0
M  END
>  <ProductName>
Saxagliptin hydrochloride dihydrate

>  <CASNumber>
1073057-20-1

>  <MolecularFormula>
C18H30ClN3O4

>  <MDLNo>


>  <MolWt>
387.90

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
Cl.OC12CC3CC(C1)CC([C@@H](C(N1[C@H](C#N)C[C@@H]4C[C@H]14)=O)N)(C3)C2.O.O

$$$$
