QPT

carboplatin

Created:	2011-09-28
Last modified:	2011-09-28

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17 entries where QPT is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of QPT

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Chemical Component Summary
Name	carboplatin
Systematic Name (OpenEye OEToolkits)	[7-azaniumyl-5,9-bis(oxidanylidene)-6,8-dioxa-7$l^{4}-platinaspiro[3.5]nonan-7-yl]azanium
Formula	C₆ H₁₂ N₂ O₄ Pt
Molecular Weight	371.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.370	N\|[Pt]1(\|N)OC(=O)C2(CCC2)C(=O)O1
SMILES	OpenEye OEToolkits	1.7.2	C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]
Canonical SMILES	CACTVS	3.370	N\|[Pt]1(\|N)OC(=O)C2(CCC2)C(=O)O1
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]
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

Related Resource References

Resource Name	Reference
PubChem	56840877, 76418694
CCDC/CSD	QASKEB, PARKOK, AMCBPT01

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