
 Sodium valproate

 26 24  0  0  0  0  0  0  0  0999 V2000
    1.1550    1.4476   -1.5698 C   0  0  0  0  0
    2.2989    0.9357   -0.7076 C   0  0  0  0  0
    3.5947    1.7044   -0.9874 C   0  0  0  0  0
    4.8043    1.1570   -0.2115 C   0  0  0  0  0
    6.0866    1.8712   -0.6681 C   0  0  0  0  0
    7.3480    1.3305    0.0132 C   0  0  0  0  0
    8.5994    2.0096   -0.5229 C   0  0  0  0  0
    4.5666    1.3738    1.2646 C   0  0  0  0  0
    4.3050    0.3741    1.9976 O   0  0  0  0  0
    4.6274    2.5346    1.7645 O   0  0  0  0  0
    4.1755    1.6861    3.6756 Na  0  0  0  0  0
    0.2342    0.9022   -1.3410 H   0  0  0  0  0
    1.3747    1.3114   -2.6335 H   0  0  0  0  0
    0.9735    2.5120   -1.3897 H   0  0  0  0  0
    2.4480   -0.1320   -0.9048 H   0  0  0  0  0
    2.0158    1.0369    0.3460 H   0  0  0  0  0
    3.4412    2.7661   -0.7535 H   0  0  0  0  0
    3.8076    1.6486   -2.0628 H   0  0  0  0  0
    4.9060    0.0822   -0.4104 H   0  0  0  0  0
    6.0101    2.9503   -0.4866 H   0  0  0  0  0
    6.1942    1.7450   -1.7540 H   0  0  0  0  0
    7.4267    0.2501   -0.1493 H   0  0  0  0  0
    7.2958    1.4944    1.0957 H   0  0  0  0  0
    8.7181    1.8226   -1.5944 H   0  0  0  0  0
    9.4871    1.6274   -0.0105 H   0  0  0  0  0
    8.5562    3.0926   -0.3654 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
M  CHG  2  10  -1  11   1
M  END

>  <Chemical Name>
Sodium valproate

>  <PubChem CID>
16760703

>  <Formula>
C8H15NaO2

>  <Molecular Weight>
166.196000

>  <IUPAC Name>
sodium;2-propylpentanoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(CCC)C(=O)[O-].[Na+]

>  <Isomeric SMILES>
CCCC(CCC)C(=O)[O-].[Na+]

>  <InChI Std. ID>
InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1

>  <InChI Key>
AEQFSUDEHCCHBT-UHFFFAOYSA-M

