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Dihydroxy Oxaliplatin-Pt(IV)

CAT: 0572-TRC-D454185-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D454185-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111321-67-6
Synonyms
Platinum, [(1R,2R)-1,2-cyclohexanediamine-kappaN1,kappaN2][ethanedioato(2-)-kappaO1,kappaO2]dihydroxy-, (OC-6-33)-; Platinum, (1,2-cyclohexanediamine-N,N')[ethanedioato(2-)-O,O']dihydroxy-, [OC-6-33-(1R-trans)]- (9CI); 1,2-Cyclohexanediamine, platinum complex, (1R-trans)-; Oxaliplatin Imp. C (EP); Oxaliplatin Related Compound C (USP)
Hazard Statement
Harmful if swallowed; UN number: UN3467; Packing Group: III
Smiles
O[Pt+2]12(O)([NH2][C@@H]3CCCC[C@H]3[NH2]1)[O-]C(=O)C(=O)[O-]2
Molecular Formula
C8 H16 N2 O6 Pt
Molecular Weight
431.3
InChI
InChI=1S/C6H14N2.C2H2O4.2H2O.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);2*1H2;/q;;;;+4/p-4/t5-,6-;;;;/m1..../s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dihydroxy oxaliplatin-Pt(IV)
CAS Number111321-67-6
PubChem CID15459431
IUPAC Nameoxalate;platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine;dihydroxide
Molecular FormulaC8H16N2O6Pt
Molecular Weight431.31
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity123
SMILES
C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[OH-].[OH-].[Pt+4]
InChI
InChI=1S/C6H14N2.C2H2O4.2H2O.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);2*1H2;/q;;;;+4/p-4/t5-,6-;;;;/m1..../s1
InChIKey
CRUOOYJLGQUXMM-NDSUJOINSA-J
Chemical Structure
2D Structure
2D structure of Dihydroxy oxaliplatin-Pt(IV)
CAS: 111321-67-6
CID: 15459431
Formula: C8H16N2O6Pt
MW: 431.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass431.065631
Monoisotopic Mass431.065631
Topological Polar Surface Area134 Ų
Heavy Atom Count17
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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