Products 86050-77-3

CAS 86050-77-3 appears in our catalog under these names: Gadopentetate dimeglumine/ 98%, Gadopentetate dimeglumine. Offered by: TargetMol, Biosynth. Available pack sizes: 100mg, 200mg, 10g, 25g, 50g, 100g.

Structural formula: {0} (CAS {1})

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) (CAS 86050-77-3) is a chemical compound with the molecular formula C28H54GdN5O20 and a molecular weight of 938.0 g/mol. IUPAC name: 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). InChIKey: LGMLJQFQKXPRGA-VPVMAENOSA-K.

Identity
Molecular formulaC28H54GdN5O20
Molecular weight938.0 g/mol
IUPAC name2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
InChIKeyLGMLJQFQKXPRGA-VPVMAENOSA-K
SMILESCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](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]

Computed by PubChem (NCBI)