Mrv1652306231722472D          

 16  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    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  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    6.4821   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6571   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321   -2.4750    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.4750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3071   -2.4750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.0071   -2.4750    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  CHG  8   3  -1   7  -1   8  -1  12  -1  13   1  14   1  15   1  16   1
M  END
> <DATABASE_ID>
DB13743

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.[Na+].[Na+].[Na+].[Au+].[O-]S([S-])(=O)=O.[O-]S([S-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Au.3Na.2H2O3S2.2H2O/c;;;;2*1-5(2,3)4;;/h;;;;2*(H2,1,2,3,4);2*1H2/q4*+1;;;;/p-4

> <INCHI_KEY>
KZNBHWLDPGWJMM-UHFFFAOYSA-J

> <FORMULA>
AuH4Na3O8S4

> <MOLECULAR_WEIGHT>
526.2

> <EXACT_MASS>
525.814779

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
7.686822231138398

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gold(1+) ion trisodium dihydrate disulfanidesulfonate

> <JCHEM_LOGP>
-0.09597100366666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.2786550993851344

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
19.5183

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
gold(1+) ion trisodium dihydrate dithiosulphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13743

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Sodium aurotiosulfate

> <SYNONYMS>
Gold sodium thiosulfate; Sodium aurotiosulfate

> <PRODUCTS>
T.R.U.E. Test Thin-Layer Rapid Use Patch Test

$$$$