Mrv1718001231917162D          

 19 20  0  0  0  0            999 V2000
    0.6592    0.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    0.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696   -0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -0.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592   -0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737   -0.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -2.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    2.0271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    1.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.7896    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842    0.7896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    2.0271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    1.2021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    1.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    1.2021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.7896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
  1  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  3  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 13 18  1  0  0  0  0
 18 11  1  0  0  0  0
 18 12  1  0  0  0  0
 13 16  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00958

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2

> <INCHI_KEY>
OLESAACUTLOWQZ-UHFFFAOYSA-L

> <FORMULA>
C6H12N2O4Pt

> <MOLECULAR_WEIGHT>
371.254

> <EXACT_MASS>
371.044481331

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
18.268789884862585

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,7-diamino-6,8-dioxa-7-platinaspiro[3.5]nonane-5,9-dione

> <ALOGPS_LOGP>
0.14

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
107.88000000000001

> <JCHEM_REFRACTIVITY>
60.036699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.98e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carboplatin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00958

> <SECONDARY_ACCESSION_NUMBERS>
APRD00466

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Carboplatin

> <SYNONYMS>
Carboplatin; Carboplatine; Carboplatino; CBDCA; cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II); cis-diammine(1,1-cyclobutanedicarboxylato)platinum; cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II)

> <PRODUCTS>
Carboplatin; Carboplatin Injection; Carboplatin Injection BP; Carboplatin Injection Liq 10mg/ml; Carboplatin Injection, BP; Paraplatin; Paraplatin Inj 150mg/vial; Paraplatin-AQ Inj 10mg/ml

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