Mrv1909 02092116352D          

 12  9  0  0  0  0            999 V2000
   -0.3659    0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773    0.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    0.9540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922    0.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036    0.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287    0.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287    0.5863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -0.9814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.0038    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001269

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.Cl.NCCNCCNCCN

> <INCHI_IDENTIFIER>
InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H

> <INCHI_KEY>
WYHIICXRPHEJKI-UHFFFAOYSA-N

> <FORMULA>
C6H20Cl2N4

> <MOLECULAR_WEIGHT>
219.15

> <EXACT_MASS>
218.1065021

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.3763137246058825

> <JCHEM_AVERAGE_POLARIZABILITY>
18.035968881485992

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine dihydrochloride

> <JCHEM_LOGP>
-2.1512495040000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
3

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.773593374574192

> <JCHEM_POLAR_SURFACE_AREA>
76.1

> <JCHEM_REFRACTIVITY>
43.31739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001269

> <NAME>
Trientine hydrochloride

> <DRUG_DRUGBANK_ID>
DB06824

> <DRUG_NAME>
Triethylenetetramine

> <CAS_NUMBER>
38260-01-4

> <UNII>
HC3NX54582

$$$$