Products 117827-80-2

CAS 117827-80-2 is the registry number for Gadopenamide. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

2-[bis[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]acetate;gadolinium(3+) (CAS 117827-80-2) is a chemical compound with the molecular formula C22H34GdN5O10 and a molecular weight of 685.8 g/mol. IUPAC name: 2-[bis[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]acetate;gadolinium(3+). InChIKey: DUKPLGYBRQILLM-UHFFFAOYSA-K.

Identity
Molecular formulaC22H34GdN5O10
Molecular weight685.8 g/mol
IUPAC name2-[bis[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]acetate;gadolinium(3+)
InChIKeyDUKPLGYBRQILLM-UHFFFAOYSA-K
SMILESC1COCCN1C(=O)CN(CCN(CCN(CC(=O)N2CCOCC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Computed by PubChem (NCBI)