Mrv1909 11171900402D          

 13 12  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Fe  0  6  0  0  0  0  0  0  0  0  0  0
    0.7161   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   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
  1  3  3  0  0  0  0
  2  7  1  0  0  0  0
  2  5  3  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  4  6  3  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  3  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1   7  -2
M  END
> <DATABASE_ID>
DB00325

> <DATABASE_NAME>
drugbank

> <SMILES>
O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N

> <INCHI_IDENTIFIER>
InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1

> <INCHI_KEY>
ASPOIVQEUUCDQT-UHFFFAOYSA-N

> <FORMULA>
C5FeN6O

> <MOLECULAR_WEIGHT>
215.938

> <EXACT_MASS>
215.948300785

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
16.52211923566061

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentacyano(nitroso)irondiuide

> <JCHEM_LOGP>
0.07120000000000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA_STRONGEST_BASIC>
-3.287197304660514

> <JCHEM_POLAR_SURFACE_AREA>
148.38

> <JCHEM_REFRACTIVITY>
39.4351

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cetrorelix

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00325

> <SECONDARY_ACCESSION_NUMBERS>
APRD01143

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Nitroprusside

> <SYNONYMS>
Nitroferricyanide

> <PRODUCTS>
Nipride; Nipride Rtu; Nitropress; Sodium Nitroprusside; Sodium Nitroprusside In 0.9% Sodium Chloride; Sodium Nitroprusside for Injection; Sodium nitroprusside

> <SALTS>
Sodium nitroprusside

$$$$