Mrv1652312211617232D          

 30  9  0  0  0  0            999 V2000
    4.8290   -6.4384    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -6.4384    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.2190   -6.4384    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0860   -6.4384    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3911   -6.4384    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -6.6961   -6.4384    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9815   -5.7730    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6765   -7.1038    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.1893   -5.2859    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.8585   -7.5909    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.3715   -5.7730    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.9335   -7.1038    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4463   -5.2859    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.8844   -7.5909    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -3.2384   -5.7730    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -5.5436   -5.7730    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -4.3911   -7.7692    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.7145    1.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.7692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.7692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6961   -6.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 30  1  0  0  0  0
M  CHG  8   1   4   2   4   3   4   4   4   5   3   6   2  11  -1  12  -2
M  CHG  8  13  -2  14  -2  15  -2  16  -2  17  -2  18  -2  19  -2  20  -2
M  CHG  1  21  -2
M  END
> <DATABASE_ID>
DB01574

> <DATABASE_NAME>
drugbank

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Al+3].[Si+4].[Si+4].[Si+4].[Si+4].[O-][H].[H]O[H].[H]O[H].[H]O[H].[H]O[H]

> <INCHI_IDENTIFIER>
InChI=1S/Al.Mg.5H2O.10O.4Si/h;;5*1H2;;;;;;;;;;;;;;/q+3;+2;;;;;;10*-2;4*+4/p-1

> <INCHI_KEY>
IXWIAFSBWGYQOE-UHFFFAOYSA-M

> <FORMULA>
AlH9MgO15Si4

> <MOLECULAR_WEIGHT>
412.684

> <EXACT_MASS>
411.8684309

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrasilicon(4+) ion aluminium(3+) ion magnesium(2+) ion tetrahydrate hydroxide decaoxidandiide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrasilicon(4+) ion aluminium(3+) ion magnesium(2+) ion tetrahydrate hydroxide decaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01574

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Attapulgite

> <SYNONYMS>
Activated attapulgite; Aluminium magnesium silicate (attapulgite); Attapulgite (activated); Attapulgite, activated; Attapulgite,activated; Attapulgus clay

> <PRODUCTS>
Children's Kaopectate Sus 600mg/15ml; Diaret Tab; Diarex Tab; Diban Cap; Donnagel-PG Cap; Extra Strength Kaopectate Tablets 750mg; Kaopectate Chewable Tab 300mg; Kaopectate Chewable Tablets 300mg; Kaopectate Extra Strength Sus; Kaopectate Extra Strength Tab 750mg; Kaopectate Liq 600mg/15ml; Kaopectate Tablet - 600mg; Kaopectate Tablets 600mg

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