CAS 122795-43-1

Gadolinium, aqua[rel-(5R,11S)-5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, hydrate (1:?), (TPS-9-156428397)-

Description:

Gadolinium aqua complex, specifically the compound with the name "Gadolinium, aqua[rel-(5R,11S)-5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, hydrate," is a coordination compound featuring gadolinium as the central metal ion. This compound is characterized by its complexation with a multi-dentate ligand that includes multiple carboxylate groups, which enhance its solubility and stability in aqueous solutions. The presence of nitrogen atoms in the ligand indicates that it forms chelate rings with the gadolinium ion, contributing to the overall stability of the complex. The hydrate form suggests the presence of water molecules associated with the complex, which can influence its solubility and reactivity. Gadolinium complexes are often studied for their applications in medical imaging, particularly in magnetic resonance imaging (MRI), due to gadolinium's paramagnetic properties. The specific stereochemistry and functional groups in this compound may also impart unique biological interactions, making it of interest in pharmaceutical research.

Formula: C₁₆H₂₈GdN₅O₉·xH₂O

InChI: InChI=1S/C16H29N5O8.Gd.2H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;2*1H2/q;+3;;/p-3

InChI key: InChIKey=OJISUAHWVIGHQC-UHFFFAOYSA-K

SMILES: [OH2][Gd+3]1234567[N](CC[N]1(CC(NC)=O2)CC(=O)[O-]3)(CC[N]4(CC(NC)=O5)CC(=O)[O-]6)CC(=O)[O-]7.O

Synonyms:

• Gadolinium, aqua[rel-(5R,11S)-5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, hydrate, (TPS-9-156428397)-
• 2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-, gadolinium complex
• Gadodiamide hydrate
• Gadolinium, aqua[5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)]-, hydrate
• Gadolinium, aqua[rel-(5R,11S)-5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, hydrate (1:?), (TPS-9-156428397)-

Gadodiamide Hydrate

CAS: 122795-43-1

Gadodiamide Hydrate (Omniscan), a nonionic Gd3+ chelate, is frequently injected i.v. into magnetic resonance imaging (MRI) to enhance contrast.

Formula: C₁₆H₂₈GdN₅O₉C₁₆H₂₈GdN₅O₉·xH₂O

Color and Shape: Solid

Molecular weight: 591.67

Ref: TM-T6508