Mrv1652306231722442D          

 14  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1250    1.6500    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.6500    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  8   2  -1   4  -1   5  -1   6  -1   7  -1   9  -1  10  -1  11  -1
M  CHG  3  12   2  13   3  14   3
M  END
> <DATABASE_ID>
DB13595

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Al.Mg.2O4Si.H2O/c;;;2*1-5(2,3)4;/h;;;;;1H2/q2*+3;+2;2*-4;

> <INCHI_KEY>
XFKLULFTFNRQOX-UHFFFAOYSA-N

> <FORMULA>
Al2H2MgO9Si2

> <MOLECULAR_WEIGHT>
280.445

> <EXACT_MASS>
279.8718534

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
5.139216210398294

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion magnesium(2+) ion hydrate disilicate

> <JCHEM_LOGP>
-2.6008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.358981612572368

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.822075785408108

> <JCHEM_PKA_STRONGEST_BASIC>
-4.800283011255641

> <JCHEM_POLAR_SURFACE_AREA>
92.24

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion magnesium(2+) ion hydrate diorthosilicate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13595

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Almasilate

> <SYNONYMS>
Almasilate; Almasilato; Almasilatum; Magnesium aluminosilicate hydrate

> <PRODUCTS>
Ohtas Isan Antacid

> <INTERNATIONAL_BRANDS>
Megalac

$$$$