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Substance Name: Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
RN: 121183-84-4
InChIKey: DIQGNQVERIPIGP-UHFFFAOYSA-H

Note

  • Used as MRI contrast agents.

Molecular Formula

  • C9-H18-Gd-N3-O9-P3

Molecular Weight

  • 562.4252
 
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Names and Synonyms

Name of Substance

  • Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)

Synonym

  • Gd-Notp

Systematic Name

  • Gadolinate(3-), ((((hexahydro-1H-1,4,7-triazonine-1,4,7-triyl)tris(methylene))tris(phosphonate))(6-))-, (OC-6-22)-

Registry Numbers

CAS Registry Number

  • 121183-84-4

System Generated Number

  • 0121183844

Structure Descriptors

InChI

1S/C9H24N3O9P3.Gd/c13-22(14,15)7-10-1-2-11(8-23(16,17)18)5-6-12(4-3-10)9-24(19,20)21;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21);/q;+3/p-6

InChIKey

DIQGNQVERIPIGP-UHFFFAOYSA-H

Smiles

C1CN(CCN(CCN1CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3]