Magnevist
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
| Molecular Formula | C28H54GdN5O20 |
|---|---|
| Molecular Weight | 938.0 g/mol |
| Topological Polar Surface Area | 431.0 A2 |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 938.2603 |
| Heavy Atoms | 54 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 86050-77-3 |
|---|---|
| SMILES | CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | LGMLJQFQKXPRGA-VPVMAENOSA-K |
📖 Product Overview
Magnevist (CAS: 86050-77-3) is a chemical compound with molecular formula C28H54GdN5O20 and molecular weight 938.0 g/mol. Its IUPAC systematic name is 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol).
LGMLJQFQKXPRGA-VPVMAENOSA-K.
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3].
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