ISDA: 5NA9

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: QPT

IUPAC Name: carboplatin

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCC1

InChI: InChI=1S/C4H8/c1-2-4-3-1/h1-4H2

InChI Key: PMPVIKIVABFJJI-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H12 N2 O4 Pt

Molecular weight: 371.248

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 2

Rotatable Bonds: 2

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	1.7.2	[7-azaniumyl-5,9-bis(oxidanylidene)-6,8-dioxa-7$l^{4}-platinaspiro[3.5]nonan-7-yl]azanium

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	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;;;+4/p-2
InChIKey	InChI	1.03	BHKICZDKIIDMNR-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.370	N\|[Pt]1(\|N)OC(=O)C2(CCC2)C(=O)O1
SMILES	CACTVS	3.370	N\|[Pt]1(\|N)OC(=O)C2(CCC2)C(=O)O1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]
SMILES	OpenEye OEToolkits	1.7.2	C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]

Chemical Database Mapping

Database	Reference ID
PubChem	56840877,76418694