Mrv1652302241718332D          

 23 24  0  0  1  0            999 V2000
    0.4929   -1.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -0.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6410   -0.0568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0535    0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    0.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -0.0568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8785   -0.7713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0535   -0.7713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5015   -1.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -1.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0980   -0.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092   -1.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    0.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0814    1.1918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7488    0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139    1.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5663    1.8593    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0592   -0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    2.5267    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  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  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  6  0  0  0
  2 10  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  CHG  2  21  -1  23   1
M  END
> <DATABASE_ID>
DBSALT002318

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].CC1(C)O[C@@H]2CO[C@@]3(COS([NH-])(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

> <INCHI_IDENTIFIER>
InChI=1S/C12H20NO8S.Na/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12;/h7-9H,5-6H2,1-4H3,(H-,13,14,15);/q-1;+1/t7-,8-,9+,12+;/m1./s1

> <INCHI_KEY>
ZUWVVMMRNQEJMW-WGAVTJJLSA-N

> <FORMULA>
C12H20NNaO8S

> <MOLECULAR_WEIGHT>
361.34

> <EXACT_MASS>
361.08073206

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.876986126657204

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium (1R,2S,6S,9R)-6-{[(azanidylsulfonyl)oxy]methyl}-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane

> <ALOGPS_LOGP>
1.26

> <JCHEM_LOGP>
0.12695973433333307

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.087057933607165

> <JCHEM_PKA_STRONGEST_BASIC>
-3.723039569510656

> <JCHEM_POLAR_SURFACE_AREA>
109.75000000000001

> <JCHEM_REFRACTIVITY>
71.50200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium (1R,2S,6S,9R)-6-{[(azanidylsulfonyl)oxy]methyl}-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002318

> <NAME>
Topiramate sodium

> <DRUG_DRUGBANK_ID>
DB00273

> <DRUG_NAME>
Topiramate

> <CAS_NUMBER>
488127-49-7

> <UNII>
N808MSN0PT

$$$$