Mangafodipir trisodium

• CAS: 140678-14-4
• Catalog Number: ACM140678144
• Category: Inhibitors
• Molecular Weight: 757.32
• Molecular Formula: C22H27MnN4Na3O14P2
• Description: 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. Mangafodipir trisodium shows no negative interference with the tumoricidal activity of chemotherapy.
• Synonyms: Trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]acetate;hydron;manganese(2+)
• Canonical 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]
• InChI: InChI=1S/C22H32N4O14P2.Mn.3Na/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;3*+1/p-5
• InChI Key: BENFPBJLMUIGGD-UHFFFAOYSA-I
• Appearance: Solid
• Storage: 4°C, sealed storage, away from moisture*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture).
• Complexity: 873
• Covalently-Bonded Unit Count: 8
• Defined Atom Stereocenter Count: 0
• Exact Mass: 757.007251
• Heavy Atom Count: 46
• Hydrogen Bond Acceptor Count: 18
• Hydrogen Bond Donor Count: 3
• Monoisotopic Mass: 757.007251
• Rotatable Bond Count: 13
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Topological Polar Surface Area: 304 Ų