Mrv1718011221711432D          

 17  6  0  0  0  0            999 V2000
   -2.2606    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143    2.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143    1.4724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9531    2.0721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0908   -0.2526    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586    0.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1155   -1.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    0.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146   -1.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810   -2.6825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066    1.1904    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.2486    0.8853    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    1.9441    0.3088    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.3165    2.6825    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8762    2.6146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6395    1.7331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7586    1.2583    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  8   3  -1   4  -1  11   2  12   2  13   2  14  -1  15  -1  16  -1
M  CHG  1  17  -1
M  END
> <DATABASE_ID>
DBSALT002586

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.[OH-].[OH-].[OH-].[OH-].[Mg++].[Mg++].[Mg++].O[Al](O)O.[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.Al.3Mg.9H2O/c2-1(3)4;;;;;;;;;;;;;/h(H2,2,3,4);;;;;9*1H2/q;+3;3*+2;;;;;;;;;/p-9

> <INCHI_KEY>
MTEOMEWVDVPTNN-UHFFFAOYSA-E

> <FORMULA>
CH11AlMg3O12

> <MOLECULAR_WEIGHT>
314.984

> <EXACT_MASS>
313.9617144

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimagnesium(2+) alumanetriol dihydrate tetrahydroxide carbonate

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimagnesium(2+) aluminium hydroxide dihydrate tetrahydroxide carbonate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002586

> <NAME>
Almagate

> <DRUG_DRUGBANK_ID>
DB06723

> <DRUG_NAME>
Aluminum hydroxide

> <CAS_NUMBER>
66827-12-1

> <UNII>
568Z59H7ZJ

$$$$