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Substance Name: Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
RN: 120691-20-5
InChIKey: OVDYASUCQCSQGE-UHFFFAOYSA-H

Note

  • Used as MRI contrast agent.

Molecular Formula

  • C12-H24-Gd-N3-O9-P3

Molecular Weight

  • 604.5056
 
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Names and Synonyms

Name of Substance

  • Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)

Synonym

  • Gd-Dotrp

Systematic Name

  • Gadolinate(3-), (((1,5,9-triazacyclododecane-1,5,9-triyltris(methylene))tris(phosphonato))(6-))-, (OC-6-22)-

Registry Numbers

CAS Registry Number

  • 120691-20-5

System Generated Number

  • 0120691205

Structure Descriptors

InChI

1S/C12H30N3O9P3.Gd/c16-25(17,18)10-13-4-1-5-14(11-26(19,20)21)7-3-9-15(8-2-6-13)12-27(22,23)24;/h1-12H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+3/p-6

InChIKey

OVDYASUCQCSQGE-UHFFFAOYSA-H

Smiles

C1CN(CCCN(CCCN(C1)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3]