Mangafodipir Trisodium CAS #: 140678-14-4

Synonyms Manganese(II) dipyridoxal diphosphate trisodium salt, Mn(II)DPDP, Mn-DPDP, manganese-DPDP, Manganese (II) N,N'-dipyridoxylethylenediamine-N,N'-diacetate 5,5'-bis(phosphate), Manganate(6-), [[N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-kO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-kN,kO]](8-)]-, sodium hydrogen (1:3:3), (OC-6-13)-, Teslascan, CAS 119797-12-5

Compound Formula: C22H27MnN4Na3O14P2 Molecular Weight: 757.3231 Appearance: Orange powder Melting Point: N/A Boiling Point: N/A Density: N/A Solubility in H2O: Highly soluble Monoisotopic Mass: 757.007 g/mol Charge: 757.007 g/mol

Health & Safety Information Signal Word: N/A Hazard Statements: N/A Hazard Codes: N/A Risk Codes: N/A Safety Statements: N/A Transport Information: NONH for all modes of transport

Chemical Identifiers Linear Formula: C22H27MnN4Na3O14P2 Pubchem CID: 160036 MDL Number: N/A IUPAC Name: 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+) 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 Identifier: 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