Metrizamide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 40
Total Number of Articles : 77
PubChem 88714585
Molecular Formula

C18H22I3N3O8

SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)I)N(C)C(=O)C)I

InChI

InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13+,15-,16-,18+/m1/s1

synonyms
  • metrizamide
  • SCHEMBL11048850
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Properties
Property Value
MW 789.1 g/mol
HBD 6
HBA 8
Rotatable Bond Count 5
Exact Mass 788.8541 g/mol
Monoisotopic Mass 788.8541 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 719
xlogp -0.4
Topological Polar Surface Area 169