Mangafodipir
[4-[[carboxymethyl-[2-[carboxymethyl-[[3-hydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-4-pyridinyl]methyl]amino]ethyl]amino]methyl]-5-hydroxy-6-methyl-2-pyridinyl]methyl hydrogen phosphate;manganese(2+)
Molecular Identity
Mangafodipir
[4-[[carboxymethyl-[2-[carboxymethyl-[[3-hydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-4-pyridinyl]methyl]amino]ethyl]amino]methyl]-5-hydroxy-6-methyl-2-pyridinyl]methyl hydrogen phosphate;manganese(2+)
PubChem CID: 76967443
2D Structure
Properties
C22H30MnN4O14P2
Molecular Formula
691.40
Molecular Weight
g/mol
691.0614
Exact Mass
Da
287
TPSA
May have limited oral absorption
6
H-Bond Donors
18
H-Bond Acceptors
902
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=CC(=N1)COP(=O)(O)[O-])CN(CCN(CC2=CC(=NC(=C2O)C)COP(=O)(O)[O-])CC(=O)O)CC(=O)O)O.[Mn+2]Isomeric SMILES
SMILES: CC1=C(C(=CC(=N1)COP(=O)(O)[O-])CN(CCN(CC2=CC(=NC(=C2O)C)COP(=O)(O)[O-])CC(=O)O)CC(=O)O)O.[Mn+2]Synonyms(16)
MangafodipirDTXSID70894993N02W67RKJSManganate(6-), ((N,N'-1,2-ethanediylbis(N-((3-(hydroxy-kappaO)-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)glycinato-kappaN,kappaO))(8-))-, hexahydrogen, (OC-6-13)-mangafodipirumRefChem:809803V08CA05DTXCID401324550manganese(2+) ion 2-((2-((carboxylatomethyl)((3-hydroxy-2-methyl-6-((phosphonooxy)methyl)pyridin-4-yl)methyl)amino)ethyl)((3-hydroxy-2-methyl-6-((phosphonooxy)methyl)pyridin-4-yl)methyl)amino)acetatemanganese(2+) ion trisodium 2-((2-((carboxylatomethyl)((5-((hydrogen phosphonatooxy)methyl)-2-methyl-3-oxidopyridin-4-yl)methyl)amino)ethyl)((2-methyl-3-oxido-5-((phosphonooxy)methyl)pyridin-4-yl)methyl)amino)acetate155319-91-8Mangafodipir [INN:BAN]UNII-N02W67RKJSHexahydrogen (OC-6-13)-((N,N'-ethylenebis(N-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl)methyl)glycine) 5,5'-bis(phosphato))(8-))manganate(6-)Hexahydrogen(OC-6-13)-((N,N''-ethylenebis(N-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl)methyl)glycine)5,5'-bis(phosphato))(8-)manganate(6-)
Data from PubChem (NCBI)
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