Indium In-111 Pentetate Disodium

Molecular Weight (g/mol)

545.19

Molecular Formula

C14H18InN3Na2O10

InChI

InChI=1S/C14H23N3O10.In.2Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;/q;+3;2*+1/p-5/i;1-4;;

InChIKey

JKGXLBAWNSPIFF-LWQDMHIUSA-I

SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[111In+3]

IUPAC Name

disodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;indium-111(3+)

Exact Mass (Da)

544.98386

Monoisotopic Mass (Da)

544.98386