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Substance Name: Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
RN: 129964-84-7
InChIKey: HQZPCBTWYRQVRC-UHFFFAOYSA-K

Note

  • Used as a tissue-specific contrast agent for magnetic resonance imaging.

Molecular Formula

  • C18-H30-Gd-N3-O9

Molecular Weight

  • 589.697
 
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Names and Synonyms

Name of Substance

  • Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid

Synonyms

  • (1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triacetato(3-)-N4,N10,N16,O1,O4,O7,O10,O13,O16)gadolinium
  • Gd(Ttct)

Systematic Name

  • Gadolinium, (1,7,13-trioxa-4,10,16-triazacyclooctadecane-4,10,16-triacetato(3-)-N4,N10,N16,O1,O4,O7,O10,O13,O16)-

Registry Numbers

CAS Registry Number

  • 129964-84-7

System Generated Number

  • 0129964847

Structure Descriptors

InChI

1S/C18H33N3O9.Gd/c22-16(23)13-19-1-7-28-9-3-20(14-17(24)25)5-11-30-12-6-21(15-18(26)27)4-10-29-8-2-19;/h1-15H2,(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3

InChIKey

HQZPCBTWYRQVRC-UHFFFAOYSA-K

Smiles

C1COCCN(CCOCCN(CCOCCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]