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Chemical structure of Mangafodipir trisodium

GC30078

Mangafodipir trisodium

Also known as trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]acetate;hydron;manganese(2+)

Mangafodipir trisodium (MnDPDP), hepatocellular-specific contrast agent, is an efficacious inhibitor of CIPN (chemotherapy-induced peripheral neuropath) and other conditions caused by cellular oxidative stress

ChemicalCAS140678-14-4MW757.32FormulaC22H27MnN4Na3O14P2
CAS number
140678-14-4
Molecular weight
757.32
Formula
C22H27MnN4Na3O14P2
Solubility
Water ： ≥ 50 mg/mL (66·02 mM)
InChIKey
BENFPBJLMUIGGD-UHFFFAOYSA-I
Catalogue number
GC30078
Brand
GLPBIO
Computed properties PubChem CID 160036 · TPSA 303 Ų · H-bond donors 3 · H-bond acceptors 18
TPSA
303 Ų
H-bond donors
3
H-bond acceptors
18
Rotatable bonds
13
Heavy atoms
46

SMILES [H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2]

Computed descriptors from PubChem (CID 160036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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