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Substance Name: Gadobenic Acid [INN:BAN]
RN: 113662-23-0
UNII: 15G12L5X8K
InChIKey: QAAWEUKOUJRVBF-UHFFFAOYSA-N

Note

  • Used in MR imaging of liver.

Classification Codes

  • Contrast Media
  • Diagnostic Uses of Chemicals

Molecular Formula

  • C22-H26-Gd-N3-O11.2H

Molecular Weight

  • 670.7469
 
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Names and Synonyms

Name of Substance

  • Gadobenic acid
  • Gadobenic Acid [INN:BAN]

Synonyms

  • Acide gadobenique
  • Acide gadobenique [INN-French]
  • Acido gadobenico
  • Acido gadobenico [INN-Spanish]
  • Acidum gadobenicum
  • Acidum gadobenicum [INN-Latin]
  • Gadobenate
  • Gadobenic acid
  • UNII-15G12L5X8K

Systematic Name

  • Gadolinate(2-), (4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-)-N5,N8,N11,O4,O5,O8,O11,O13)-, dihydrogen

Registry Numbers

CAS Registry Number

  • 113662-23-0

FDA UNII

  • 15G12L5X8K

Related Registry Number

  • 127000-20-8 (dimeglumine)

System Generated Number

  • 0113662230

Molecular Formulas

Molecular Formula

  • C22-H26-Gd-N3-O11.2H

Molecular Formula Fragments

  • C22-H26-Gd-N3-O11
  • COMPONENT
  • H

Structure Descriptors

InChI

InChI=1S/C22H31N3O11.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);

InChIKey

QAAWEUKOUJRVBF-UHFFFAOYSA-N

Smiles

[H+].[H+].O=C1C[NH]23CC[NH]45CC(=O)[O-][Gd+3]2467([NH](CC3)(CC(=O)[O-]6)C(COCc8ccccc8)C(=O)[O-]7)([O-]1)[O-]C(=O)C5