Mangafodipir
[CAS# 155319-91-8]

Identification

• Name: Mangafodipir
• Synonyms: Manganous 2-[2-[Carboxymethyl-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methyl]Amino]Ethyl-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methyl]Amino]Acetic Acid; 2-[2-[Carboxymethyl-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methyl]Amino]Ethyl-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methyl]Amino]Ethanoic Acid; Manganese(+2) Cation; Manganate(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)-
• Molecular Formula: C₂₂H₃₂MnN₄O₁₄P₂
• Molecular Weight: 693.40
• CAS Registry Number: 155319-91-8
• SMILES: C1=NC(=C(O)C(=C1CO[P](O)(O)=O)CN(CCN(CC2=C(C=NC(=C2O)C)CO[P](O)(O)=O)CC(O)=O)CC(O)=O)C.[Mn++]
• InChI: 1S/C22H32N4O14P2.Mn/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2
• InChIKey: QDQFSBKXQQZVTB-UHFFFAOYSA-N

Properties

• Boiling point: 1049.1°C at 760 mmHg (Cal.)
• Flash point: 588.3°C (Cal.)