Mrv2304 07132315582D          

 20 21  0  0  0  0            999 V2000
    1.7869   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0724   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2760   -1.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -1.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876    1.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0024   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1504   -2.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9504    0.5733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  1  6  0  0  0
  5  6  1  0  0  0  0
  6  8  1  1  0  0  0
  8 15  1  0  0  0  0
 15 11  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 18 14  2  0  0  0  0
 13 19  2  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 15  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03682

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]1(Cl)OC(=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2.C2H2O4.ClH.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);1H;/q;;;+2/p-2/t5-,6-;;;/m1.../s1

> <INCHI_KEY>
PBOYVRWWRCTTFM-SKSSAGQDSA-L

> <FORMULA>
C8H15ClN2O4Pt

> <MOLECULAR_WEIGHT>
433.75

> <EXACT_MASS>
433.036827

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
24.336555744754804

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3aR,7aR)-2-chloro-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl hydrogen oxalate

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
96.82

> <JCHEM_REFRACTIVITY>
74.5849

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,7aR)-2-chloro-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl hydrogen oxalate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET03682

> <NAME>
Monochloro DACH platinum

$$$$