Gadopenamide
[CAS# 117827-80-2]

Identification

• Name: Gadopenamide
• Synonyms: 2-[Bis[2-[(2-Morpholino-2-Oxo-Ethyl)-(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl]Amino]Acetate; Gadolinium(+3) Cation; 2-[Bis[2-[(2-Morpholino-2-Oxoethyl)-(2-Oxido-2-Oxoethyl)Amino]Ethyl]Amino]Acetate; Gadolinium(+3) Cation; 2-[Bis[2-[(2-Keto-2-Morpholino-Ethyl)-(2-Keto-2-Oxido-Ethyl)Amino]Ethyl]Amino]Acetate; Gadolinium(+3) Cation
• Molecular Formula: C₂₂H₃₄GdN₅O₁₀
• Molecular Weight: 685.79
• CAS Registry Number: 117827-80-2
• SMILES: [Gd+3].C(C(N1CCOCC1)=O)N(CCN(CCN(CC(N2CCOCC2)=O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
• InChI: 1S/C22H37N5O10.Gd/c28-18(26-5-9-36-10-6-26)13-24(16-21(32)33)3-1-23(15-20(30)31)2-4-25(17-22(34)35)14-19(29)27-7-11-37-12-8-27;/h1-17H2,(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3
• InChIKey: DUKPLGYBRQILLM-UHFFFAOYSA-K

Properties

• Boiling point: 820.3°C at 760 mmHg (Cal.)
• Flash point: 449.9°C (Cal.)