Gadolinium 2,2',2''-{10-[(2R,3S)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate | CAS No. 138071-82-6

Gadolinium 2,2',2''-{10-[(2R,3S)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate

Basic Information

CAS Number

138071-82-6

Molecular Formula

C18H31GdN4O9

Molecular Weight

517.18 g/mol

AD

Basic Physical Properties

[Gd+3].[O-]C(=O)CN1CCN(CCN(CCN([C@H](CO)[C@H](O)CO)CC1)CC([O-])=O)CC([O-])=O

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

InChIKey

ZPDFIIGFYAHNSK-CTHHTMFSSA-K

Safety Information

View Safety Information

Toxicity

LD50 i.v. in mice: 23 mmol/kg (Vogler)

Synonyms & References

English

  • Gadobutrol
  • Gadolinium,[10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-
  • Gadolinium,[10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-tr...
  • Gadolinium,[10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,k
  • (10-((1RS,2SR)-2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))gadolinium
  • Gadobutrol [INN]
  • Gadolinium, (10-(2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)-
  • gallium 2,2',2''-{10-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate

MDL Number

MFCD00911649

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