Mrv1718006221816492D          

 19  9  0  0  0  0            999 V2000
    5.5798    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.9282    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.8636    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6894    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.0913   -0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.7142    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2008    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6248    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266    0.7142    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2654    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266    0.7142    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0913    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -3.9282    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -4.7539    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -5.5798    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  8   2  -2   3  -2   4  -1   7  -1   8  -1  11  -1  12  -1  15  -1
M  CHG  4  16   2  17   2  18   3  19   3
M  END
> <DATABASE_ID>
DB14116

> <DATABASE_NAME>
drugbank

> <SMILES>
O.[O--].[O--].[Mg++].[Mg++].[Al+3].[Al+3].[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2Al.2Mg.3O3Si.H2O.2O/c;;;;3*1-4(2)3;;;/h;;;;;;;1H2;;/q2*+3;2*+2;3*-2;;2*-2

> <INCHI_KEY>
JAUGGEIKQIHSMF-UHFFFAOYSA-N

> <FORMULA>
Al2H2Mg2O12Si3

> <MOLECULAR_WEIGHT>
380.832

> <EXACT_MASS>
379.8185655

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
4.217826221245687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) dimagnesium(2+) tris(oxosilanebis(olate)) hydrate dioxidandiide

> <JCHEM_LOGP>
-1.3787999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) dimagnesium(2+) tris(oxosilanebis(olate)) hydrate dioxidandiide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14116

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Silodrate

> <SYNONYMS>
Magnesium aluminometasilicate; Silodrate; Simaldrate

> <PRODUCTS>
Inon Ace

$$$$