Products 113662-23-0

CAS 113662-23-0 is the registry number for Gadobenic acid. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+);hydron (CAS 113662-23-0) is a chemical compound with the molecular formula C22H28GdN3O11 and a molecular weight of 667.7 g/mol. IUPAC name: 2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+);hydron. InChIKey: MXZROTBGJUUXID-UHFFFAOYSA-K.

Identity
Molecular formulaC22H28GdN3O11
Molecular weight667.7 g/mol
IUPAC name2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+);hydron
InChIKeyMXZROTBGJUUXID-UHFFFAOYSA-K
SMILES[H+].[H+].C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Computed by PubChem (NCBI)