Mrv1909 02202118252D          

 11  8  0  0  0  0            999 V2000
    3.0592    2.1110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0592   -0.8785    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3438   -1.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -2.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.0568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9128    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2019   -0.0568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9128    1.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.3540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336   -0.5969    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  6  0  0  0
M  CHG  3   2  -1   8  -1  11   2
M  END
> <DATABASE_ID>
DB16619

> <DATABASE_NAME>
drugbank

> <SMILES>
[Mg++].Cl.N[C@@H](CC([O-])=O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H7NO4.ClH.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1

> <INCHI_KEY>
QYOBXHXZJRPWDE-JIZZDEOASA-L

> <FORMULA>
C4H6ClMgNO4

> <MOLECULAR_WEIGHT>
191.85

> <EXACT_MASS>
190.9835771

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9896009128120871

> <JCHEM_AVERAGE_POLARIZABILITY>
10.566143655868846

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) (2S)-2-aminobutanedioate hydrochloride

> <JCHEM_LOGP>
-3.5037527551764525

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.113750094894907

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7025435921010492

> <JCHEM_PKA_STRONGEST_BASIC>
9.614153755159162

> <JCHEM_POLAR_SURFACE_AREA>
106.27999999999999

> <JCHEM_REFRACTIVITY>
48.206900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB16619

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Magnesium aspartate hydrochloride

> <SALTS>
Magnesium aspartate hydrochloride trihydrate

$$$$