Lobaplatin Impurity 4

CAT: 1596-AR-L07584-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07584-01Size:10 Units

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CAS Number

1240256-76-1

Molecular Formula

C6H14l2N2Pt

Molecular Weight

563.08

API Name

Lobaplatin

Chemical Information

1,2-Cyclobutanedimethanamine Diiodoplatinum

CAS Number	1240256-76-1
PubChem CID	172991175
IUPAC Name	[(1S,2S)-2-(aminomethyl)cyclobutyl]methanamine;diiodoplatinum
Molecular Formula	C6H14I2N2Pt
Molecular Weight	563.08
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	65

SMILES

C1C[C@@H]([C@H]1CN)CN.I[Pt]I

InChI

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

InChIKey

XFDGPHJPJBCRST-SKSSAGQDSA-L

Chemical Structure

2D Structure

CAS: 1240256-76-1

CID: 172991175

Formula: C6H14I2N2Pt

MW: 563.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	563.08
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	562.88944
Monoisotopic Mass	562.88944
Topological Polar Surface Area	52 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	65.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-L07588-01	Lobaplatin Impurity 9
AR-L07586-01	Lobaplatin Impurity 7
AR-L07582-01	Lobaplatin Impurity 2
AR-L07592-01	Lobaplatin Impurity 6 DiHCl
AR-L07590-01	Lobaplatin Impurity 11 (cis)
AR-L07585-01	Lobaplatin Impurity 5 Dinitrate
AR-L07589-01	Lobaplatin Impurity 10 (cis)
AR-L07587-01	Lobaplatin Impurity 8 Dinitrae
AR-L07591-01	Lobaplatin Impurity 1 DiHCl
AR-L07583-01	Lobaplatin Impurity 3 (trans-)