Analyte Name

Gadopentetate Monomeglumine

CAS Number

92923-57-4

Molecular Formula

C21H37GdN4O15

Molecular Weight

742.79

Accurate Mass

742.14

SMILES

[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.O=C1[O-][Gd+3]234567[N](CC(=O)[O-]2)(CC(=O)[O-]3)CC[N]4(C1)CC[N]5(CC(=O)[O-]6)CC(=O)[O-]7.[H+]

InChI

InChI=1S/C14H23N3O10.C7H17NO5.Gd/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;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);4-13H,2-3H2,1H3;/q;;+3/p-4/t;4-,5+,6+,7+;/m.0./s1

IUPAC

D-Glucitol, 1-deoxy-1-(methylamino)-, [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]gadolinate(2-) (1:1)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat