Mangafodipir trisodiumProduct ingredient for Mangafodipir
- Name
- Mangafodipir trisodium
- Drug Entry
- Mangafodipir
Mangafodipir is a contrast agent used as a diagnostic tool administered intravenously to enhance contrast in magnetic resonance imaging (MRI) of the liver and pancreas. This drug is made up of paramagnetic manganese (II) ions combined with the chelating agent fodipir (dipyridoxyl diphosphate, DPDP). Manganese absorption into the tissues that makes the normal tissue appear brighter in MRI is limited in abnormal or cancerous tissue. Enhanced contrast by mangafodipir improves visualization and detection of lesions of the liver formed from metastatic disease or hepatocellular carcinomas. The contrast agent is present as mangafodipir trisodium marketed under the name Teslascan. Teslascan has been removed from the Drug Product List by FDA in 2003, and withdrawn from the European market in 2012.
- Accession Number
- DBSALT001330
- Structure
Structure for Mangafodipir trisodium (DBSALT001330)
- Synonyms
- Anhydrous mangafodipir trisodium / Magnafodipir sodium / Mangafodipir trisodium salt / Mangafodipir trisodium, anhydrous
- UNII
- 129FW80TG4
- CAS Number
- 140678-14-4
- Weight
- Average: 757.3231
Monoisotopic: 757.007258277 - Chemical Formula
- C22H27MnN4Na3O14P2
- InChI Key
- BENFPBJLMUIGGD-UHFFFAOYSA-I
- 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
- IUPAC Name
- manganese(2+) trisodium 2-({2-[(carboxylatomethyl)({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]ethyl}({5-[(hydrogen phosphonatooxy)methyl]-2-methyl-3-oxidopyridin-4-yl}methyl)amino)acetate
- SMILES
- [Na+].[Na+].[Na+].[Mn++].CC1=C([O-])C(CN(CCN(CC([O-])=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2[O-])CC([O-])=O)=C(COP(O)(O)=O)C=N1
- External Links
- ChemSpider
- 140690
- Wikipedia
- Mangafodipir
- Predicted Properties
Property Value Source Water Solubility 8.43 mg/mL ALOGPS logP 0.88 ALOGPS logP -1.9 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 1.44 Chemaxon pKa (Strongest Basic) -6.4 Chemaxon Physiological Charge -5 Chemaxon Hydrogen Acceptor Count 16 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 294.99 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 185.26 m3·mol-1 Chemaxon Polarizability 55.1 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon