Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Gd-DOTA
RN: 92923-44-9
UNII: 99J2XUF1JT
InChIKey: VIFBVOSDYUIKIK-UHFFFAOYSA-J

Classification Codes

  • Chelating Agents
  • Contrast Media
  • Diagnostic Uses of Chemicals
  • Sequestering Agents

Molecular Formula

  • C16-H24-Gd-N4-O8.Na

Molecular Weight

  • 584.6572
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Gd-Dota

Name of Substance

  • Gadolinium 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetate

Synonyms

  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, gadolinium complex
  • Dotarem
  • Gadolinium dota
  • Gadoterate sodium
  • Gd-Dota
  • UNII-99J2XUF1JT

Systematic Names

  • Gadolinate(1-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7,kappaO10)-, sodium
  • Gradolinate(1-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10)-, sodium

Registry Numbers

CAS Registry Number

  • 92923-44-9

FDA UNII

  • 99J2XUF1JT

System Generated Number

  • 0092923449

Molecular Formulas

Molecular Formula

  • C16-H24-Gd-N4-O8.Na

Molecular Formula Fragments

  • C16-H24-Gd-N4-O8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H28N4O8.Gd.Na/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);;/q;+3;+1/p-4

InChIKey

VIFBVOSDYUIKIK-UHFFFAOYSA-J

Smiles

C1CN23CCN45[Gd+3]2678(N1(CCN6(CC4)CC(=O)[O-]7)CC(=O)[O-]8)([O-]C(=O)C3)[O-]C(=O)C5.[Na+]