Mrv1909 02012020052D          

 19 19  0  0  0  0            999 V2000
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.6501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.0627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287   -2.0627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    0.1339    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3476    0.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3476   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    0.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002931

> <DATABASE_NAME>
drugbank

> <SMILES>
OS(O)(=O)=O.NNC1=C2C=CC=CC2=C(NN)N=N1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)

> <INCHI_KEY>
BWHAMWGGORIDBK-UHFFFAOYSA-N

> <FORMULA>
C8H12N6O4S

> <MOLECULAR_WEIGHT>
288.28

> <EXACT_MASS>
288.064074064

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9858159157338287

> <JCHEM_AVERAGE_POLARIZABILITY>
19.095745313864306

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,4-dihydrazinylphthalazine; sulfuric acid

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
0.7374804733333333

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.84099045737161

> <JCHEM_POLAR_SURFACE_AREA>
101.88

> <JCHEM_REFRACTIVITY>
60.25500000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.96e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-1H,3aH,4H,8H,9H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002931

> <NAME>
Dihydralazine sulfate

> <DRUG_DRUGBANK_ID>
DB12945

> <DRUG_NAME>
Dihydralazine

> <CAS_NUMBER>
7327-87-9

> <UNII>
1C2B1W91NK

$$$$