Gadobutrol

Analyte Name

Gadobutrol

CAS Number

770691-21-9

Molecular Formula

C18 H31 Gd N4 O9

Molecular Weight

604.71

Accurate Mass

605.1332

SMILES

OC[C@@H](O)[C@@H](CO)N12CCN3(CC(=O)[O-])CCN4(CC(=O)[O-])CCN(CC(=O)[O-])(CC1)[Gd+3]234

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/t14-,15-;/m1./s1

Alternate CAS Number

138071-82-6

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Gadobutrol

Purity

>95% (HPLC)