Mrv1909 04132320552D          

 14  9  0  0  0  0            999 V2000
   -4.5042    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2187    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT003345

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.Cl.Cl.Cl.NCCNCCNCCN

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

> <INCHI_KEY>
OKHMDSCYUWAQPT-UHFFFAOYSA-N

> <FORMULA>
C6H22Cl4N4

> <MOLECULAR_WEIGHT>
292.07

> <EXACT_MASS>
290.0598575

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.3763137246058825

> <JCHEM_AVERAGE_POLARIZABILITY>
18.05130405761317

> <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 tetrahydrochloride

> <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>
4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003345

> <NAME>
Trientine tetrahydrochloride

> <DRUG_DRUGBANK_ID>
DB06824

> <DRUG_NAME>
Triethylenetetramine

> <CAS_NUMBER>
4961-40-4

> <UNII>
7360URE56Q

$$$$