Gadobutrol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 15814656
Molecular Formula

C18H31GdN4O9

SMILES

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3

synonyms
  • Gadobutrol
  • Gadovist
  • 770691-21-9
Click to show/hide the synonyms
Properties
Property Value
MW 604.7 g/mol
HBD 3
HBA 13
Rotatable Bond Count 7
Exact Mass 605.13321 g/mol
Monoisotopic Mass 605.13321 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 2
Complexity 532
xlogp None
Topological Polar Surface Area 194