Gadoxetic acid
[CAS# 135326-11-3]

Identification

• Name: Gadoxetic acid
• Synonyms: 2-[[(2S)-2-[Bis(2-Oxido-2-Oxo-Ethyl)Amino]-3-(4-Ethoxyphenyl)Propyl]-[2-[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl]Amino]Acetate; Gadolinium(+3) Cation; Hydron; 2-[2-[Bis(2-Keto-2-Oxido-Ethyl)Amino]Ethyl-[(2S)-2-[Bis(2-Keto-2-Oxido-Ethyl)Amino]-3-P-Phenetyl-Propyl]Amino]Acetate; Gadolinium(+3) Cation; Hydron
• Molecular Formula: C₂₃H₃₀GdN₃O₁₁
• Molecular Weight: 681.75
• CAS Registry Number: 135326-11-3
• SMILES: [Gd+3]|1|3|N(C[C@@H](N|1(CC([O-])=O)CC([O-])=O)CC2=CC=C(OCC)C=C2)(CCN|3(CC([O-])=O)CC([O-])=O)CC([O-])=O.[H+].[H+]
• InChI: 1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1
• InChIKey: PCZHWPSNPWAQNF-LMOVPXPDSA-K