Marvin  06230619312D          

 14 14  0  0  0  0            999 V2000
    1.1135   -0.7475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214   -0.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -2.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461   -0.2625    0.0000 Pt  0  0  3  0  0  0  0  0  0  0  0  0
    1.1605    0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    0.8645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9829   -0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
  3  5  2  0  0  0  0
  6 13  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <ID>
CHEBI:31898

> <NAME>
nedaplatin

> <STAR>
3

> <SYNONYM>
Nedaplatin; cis-diammine(glycolato)platinum(II); cis-diammine(glycolato)platinum; (glycolato-O,O')diammineplatinum(II)

> <IUPAC_NAME>
(SP-4-3)-diammine[(hydroxy-kappaO)acetato(2-)-kappaO]platinum

> <FORMULA>
C2H8N2O3Pt

> <MASS>
303.17460

> <MONOISOTOPIC_MASS>
303.01828

> <CHARGE>
0

> <SMILES>
[H][N]([H])([H])[Pt]1(OCC(=O)O1)[N]([H])([H])[H]

> <INCHI>
InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1

> <INCHIKEY>
GYAVMUDJCHAASE-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
95734-82-0

> <CHEMIDPLUS>
95734-82-0

> <KEGG_COMPOUND_ACCESSION>
C12862

> <KEGG_DRUG_ACCESSION>
D01416

$$$$