
 Sodium oxybate

 15 13  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    1.6504   -1.7371    0.0452 C   0  0  0  0  0
    2.2751   -1.8852    1.4260 C   0  0  0  0  0
    2.0181   -0.8707    2.1305 O   0  0  0  0  0
    2.9558   -2.9082    1.6122 O   0  0  0  0  0
    2.4363    1.1998    0.0818 C   0  0  0  0  0
    1.8016    2.3996   -0.2899 O   0  0  0  0  0
    1.0000    0.0000    0.0000 Na  0  0  0  0  0
    0.3056    0.2136   -1.2652 H   0  0  0  0  0
    0.0533    0.2808    1.0738 H   0  0  0  0  0
    2.3816   -1.8226   -0.7645 H   0  0  0  0  0
    0.7913   -2.3995   -0.0984 H   0  0  0  0  0
    3.1730    0.8810   -0.6606 H   0  0  0  0  0
    2.8156    1.2329    1.1049 H   0  0  0  0  0
    2.4373    3.1259   -0.1264 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
M  CHG  2   5  -1   8   1
M  END

>  <Chemical Name>
Sodium oxybate

>  <PubChem CID>
23663870

>  <Formula>
C4H7NaO3

>  <Molecular Weight>
126.087000

>  <IUPAC Name>
sodium;4-hydroxybutanoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C(CC(=O)[O-])CO.[Na+]

>  <Isomeric SMILES>
C(CC(=O)[O-])CO.[Na+]

>  <InChI Std. ID>
InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1

>  <InChI Key>
XYGBKMMCQDZQOZ-UHFFFAOYSA-M

