Mrv1909 02092116462D          

 17  6  0  0  0  0            999 V2000
   -0.6515    0.0037    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1735    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7323   -1.2438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355   -0.0549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1143   -0.0549    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8967   -0.1209    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    5.0225    0.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7323    0.7207    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.6291    0.8967    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1959    0.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -0.9561    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1735   -0.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.8789    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.2182    1.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -1.8937    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1735   -1.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  5  6  3  0  0  0  0
 16 17  3  0  0  0  0
 14 15  3  0  0  0  0
 12 13  3  0  0  0  0
 10 11  3  0  0  0  0
M  CHG  8   1  -1   3   1   6   1   7   2   9   1  10  -1  12  -1  14  -1
M  CHG  1  16  -1
M  END
> <DATABASE_ID>
DBSALT000839

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.[Na+].[Na+].[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+]

> <INCHI_IDENTIFIER>
InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;

> <INCHI_KEY>
SPBWMYPZWNFWES-UHFFFAOYSA-N

> <FORMULA>
C5H4FeN6Na2O3

> <MOLECULAR_WEIGHT>
297.951

> <EXACT_MASS>
297.948963

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.003152309183260213

> <JCHEM_AVERAGE_POLARIZABILITY>
2.068129546361004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-iron(2+) disodium pentakis(iminomethanide) iminooxidanium dihydrate

> <JCHEM_LOGP>
-0.34619831566666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.499999999999998

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
15.814900000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000839

> <NAME>
Sodium nitroprusside

> <DRUG_DRUGBANK_ID>
DB00325

> <DRUG_NAME>
Nitroprusside

> <CAS_NUMBER>
13755-38-9

> <UNII>
EAO03PE1TC

$$$$