| Catalog Number |
ACM140678144 |
| CAS |
140678-14-4 |
| 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+) |
| Molecular Weight |
757.32 |
| Molecular Formula |
C22H27MnN4Na3O14P2 |
| 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 |
| Purity |
98% |
| 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 |
| Topological Polar Surface Area |
304 Ų |
