Gadoxetic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 61
Total Number of Articles : 113
PubChem 25203894
Molecular Formula

C23H30GdN3O11

SMILES

[H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

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

synonyms
  • Gadoxetic acid
  • gadoxetate
  • GADOXETATE [VANDF]
Click to show/hide the synonyms
Properties
Property Value
MW 681.7 g/mol
HBD 2
HBA 14
Rotatable Bond Count 15
Exact Mass 682.11214 g/mol
Monoisotopic Mass 682.11214 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 4
Complexity 711
xlogp None
Topological Polar Surface Area 220