Mrv1718006171812592D          

 41 38  0  0  0  0            999 V2000
    4.7644    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644    1.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9515    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.5688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3805    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5240    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2386    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9530    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6676    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3821    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0252   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1672   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.8064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4053   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8343   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5488   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2633   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9778   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6923   -1.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4068   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4068   -0.4946    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 21 32  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
M  CHG  3  12  -1  32  -1  41   2
M  END
> <DATABASE_ID>
DB14077

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

> <INCHI_KEY>
HQKMJHAJHXVSDF-UHFFFAOYSA-L

> <FORMULA>
C36H70MgO4

> <MOLECULAR_WEIGHT>
591.244

> <EXACT_MASS>
590.512452626

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
38.181528197652604

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) dioctadecanoate

> <ALOGPS_LOGP>
10.89

> <JCHEM_LOGP>
7.145720107666667

> <ALOGPS_LOGS>
-7.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
97.1227

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium stearate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14077

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Magnesium stearate

> <SYNONYMS>
Dibasic magnesium stearate; Magnesium distearate; Magnesium octadecanoate; Octadecanoic acid, magnesium salt; Stearic acid, magnesium salt

> <PRODUCTS>
Daycling; Medi Megaton 2080

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