Mrv0541 02241205202D          

 12  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4786   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  CHG  6   1   3   2   1   3  -1   5  -1   8  -1  10  -1
M  END
> <DATABASE_ID>
DB09087

> <DATABASE_NAME>
drugbank

> <SMILES>
[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4

> <INCHI_KEY>
GRLPQNLYRHEGIJ-UHFFFAOYSA-J

> <FORMULA>
AlKO8S2

> <MOLECULAR_WEIGHT>
258.205

> <EXACT_MASS>
257.848703658

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) potassium disulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09087

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Potassium alum

> <SYNONYMS>
Alum, potassium; Aluminium potassium bis(sulphate); Aluminium potassium sulfate; Aluminum potassium alum; Aluminum potassium disulfate; Aluminum potassium sulfate; Aluminum potassium sulfate anhydrous; Burnt potassium alum; Potash alum; Potassium aluminium sulfate; Potassium aluminum disulfate

> <PRODUCTS>
Alum Powdered; Blood Stop Liq; Gingibraid W Alum Pot Sulf 0a 0.25mg/2.5cm; Gingibraid W Alum Pot Sulf 1a 0.35mg/2.5cm; Gingibraid W Alum Pot Sulf 2a 0.65mg/2.5cm; Gingibraid W Alum Pot Sulf 3a 1.15mg/2.5cm; Gingibraid W Alum Pot Sulf and Epin 0e; Gingibraid W Epineph and Alum 1e; Gingibraid W Epineph and Alum 2e; Gingibraid W Epineph and Alum 3e; Gingicord W Epineph and Alum Size No 1; Gingicord W Epineph and Alum Size No 3; Gingicord W/epineph and Alum Size 2; Gingiyarn W Alum Pot Sulf No1 0.45mg/2.5cm; Gingiyarn W Alum Pot Sulf No2 0.8mg/2.5cm; Gingiyarn W Alum Pot Sulf No3 1.35mg/2.5cm; Sulpak R 24; Sulpak R 25; Sulpak R 26; Super Sulpak R 44; Super Sulpak R 45; Super Sulpak R 46

> <SALTS>
Potassium alum dodecahydrate

$$$$