Mrv1909 12102019012D          

 29 12  0  0  0  0            999 V2000
   -5.2483    1.5952    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.7916    1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817    0.9081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5062    0.9081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7916    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2483    1.8540    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3355   -2.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795    2.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894    2.3114    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4649    2.3114    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1795    3.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853    2.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753    2.3558    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5999    2.3558    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8853    3.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7306   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -1.3537    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4452   -1.3537    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7306   -0.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315    0.3775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0435   -2.8210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205   -2.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982   -2.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320    3.0431    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -3.2652    1.5326    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -4.3759   -0.0666    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -4.5535    3.0431    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -2.5766    0.1776    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
M  CHG  8   1   2   3  -1   4  -1   6  -1   9  -1  10  -1  13  -1  14  -1
M  CHG  8  17  -1  18  -1  20  -1  25   2  26   2  27   2  28   2  29   2
M  END
> <DATABASE_ID>
DBSALT003123

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/4CH2O3.6Mg.7H2O/c4*2-1(3)4;;;;;;;;;;;;;/h4*(H2,2,3,4);;;;;;;7*1H2/q;;;;6*+2;;;;;;;/p-10

> <INCHI_KEY>
UOVKYUCEFPSRIJ-UHFFFAOYSA-D

> <FORMULA>
C4H12Mg6O19

> <MOLECULAR_WEIGHT>
509.95

> <EXACT_MASS>
507.90643121

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0006337308913795

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033064

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexamagnesium(2+) pentahydrate dihydroxide tetracarbonate

> <ALOGPS_LOGP>
-0.22

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.32259950554

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.501076428435099

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.02e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-arginine; L-aspartic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003123

> <NAME>
Magnesium carbonate basic

> <DRUG_DRUGBANK_ID>
DB09481

> <DRUG_NAME>
Magnesium carbonate

> <CAS_NUMBER>
39409-82-0

> <UNII>
YQO029V1L4

$$$$