Talk:Mangafodipir

Protonation State errors in 3D "stick model" structure depicted

Title says it all. The phenols are depicted as protonated but also bound to the Manganese, this is an error (should be no protonation, just bound to the Manganese, the two states should be mutually exclusive). The Pyridil nitrogens are depicted as protonated, while this might be possible at sufficiently low pH, this molecule is neither synthesized, stored, used, nor exists in physiological conditions in this state of protonation thus those protons should be removed in the depiction.

More subtly (and perhaps it is best to avoid addressing this because it may not be a settled or strait-forward issue) is that based on balance of charge (3 minus for the net complex to counterbalance the three sodium cations) only one of the phosphates groups should be deprotonated, and in only one position. From the current depiction it looks like both phosphate groups are deprotonated, with one of them doubly deprotonated, and the other singly deprotonated.199.94.1.205 (talk) 20:01, 19 December 2017 (UTC)

Add inventorship

I am the inventor of this MRI contrast agent and would like this page to make note of that. Here are the issued US patent numbers.

4,994,259 Improvement in the method of NMR imaging employing a manganese II chelates of N,N'-bis[pyridoxal-alkylene (or cycloalkylene) (or arylene)]-N,N'-diacetic acid derivatives

4,992,555 Certain dipyridylphosphate chelatable compounds capable of forming metal ion chelates

4,992,554 Dipyridoxyl phosphate chelating compounds

4,935,518 Manganese(II), chelate contrast agents derived from N,N'-bis-(pyridoxal ethylene diamine-N,N')-diacetic acid and derivatives thereof

4,933,456 Dipyridoxyl phosphate NMRI contrast agents

5,223,243 Dipyridoxyl phosphate chelating compound intermediates useful as NMRI contrast agents

5,219,553 Composition of a n-carboxymethylated tetraazacyclododecane chelating agent, a paramagnetic metal and excess calcium ions for MRI

5,130,437 N,N'-bis-(pyridoxal)ethylenediamine-N,N'-diacetic acid derivatives

5,130,431 Dipyriodoxyl phosphate chelating compound intermediates

5,091,169 Dipyridoxyl phosphate NMRI contrast agent compositions

5,089,644 Preparation of oxamine complexes

Steven Quay (talk) 02:37, 31 July 2017 (UTC)

References

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