Chemical Compound

Mangafodipir trisodium

CAS Registry Number 140678-14-4
Mangafodipir trisodium chemical structure
Primary Record

Mangafodipir trisodium

In stock
1,214 g
Purity
98.8 %
CAS
140678-14-4

Compound Identifiers & Properties

CAS
140678-14-4
PubChem CID
11571336
SMILES
CC1=NC=C(C(=C1O)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]
Canonical SMILES
Cc1ncc(COP(=O)([O-])[O-])c(CN(CCN(CC(=O)[O-])Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)[O-])c1O.[Mn+2].[Na+].[Na+].[Na+]

Names & Synonyms

  • Mangafodipir trisodium
  • DTXSID9043934
  • CID11571336
  • CID 11571336
  • 140678-14-4
  • trisodium;2-[2-[carboxylatomethyl-[[3-hydroxy-2-methyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methylpyridin-4-yl]methyl]amino]acetate;manganese(2+)
  • Manganese(2+) sodium [(2-{(carboxylatomethyl)[(3-hydroxy-5-{[(hydroxyphosphinato)oxy]methyl}-2-methylpyridin-4-yl)methyl]amino}ethyl)({3-hydroxy-2-methyl-5-[(phosphonatooxy)methyl]pyridin-4-yl}methyl)amino]acetate (1/3/1)