CAS 131410-50-9

Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)

Description:

Calciate(1-), specifically the compound with the name "Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)" and CAS number 131410-50-9, is a complex organic compound characterized by its multi-functional chelating properties. It contains a tetraazatridecane backbone, which is a polyamine structure that can coordinate with metal ions, making it useful in various applications, including biochemistry and medicine. The presence of carboxymethyl groups enhances its solubility and reactivity, allowing it to form stable complexes with calcium ions. This compound is likely to exhibit properties such as high stability in solution, potential bioactivity due to its amino and carboxyl functional groups, and the ability to modulate metal ion availability in biological systems. Its sodium salt form indicates that it is likely soluble in water, which is advantageous for biological applications. Overall, this compound's unique structure and functional groups contribute to its potential utility in various scientific fields.

Formula: C₁₆H₂₆CaN₅O₈·Na

InChI: InChI=1S/C16H29N5O8.Ca.Na/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);;/q;+2;+1/p-3

InChI key: InChIKey=YOVKQJBQALQTMU-UHFFFAOYSA-K

SMILES: C(C(NC)=O)[N]12[Ca+2]345([N](CC[N]3(CC(NC)=O)CC(=O)[O-]4)(CC1)CC(=O)[O-]5)[O-]C(=O)C2.[Na+]

Synonyms:

• 2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-, calcium complex
• Calciate(1-), [5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)]-, sodium
• Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN⁵,κN⁸,κN¹¹,κO¹³]-, sodium
• Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN⁵,κN⁸,κN¹¹,κO¹³]-, sodium (1:1)
• Calcium Sodium 5,8-Bis(Carboxylatomethyl)-11-[2-(Methylamino)-2-Oxoethyl]-3-Oxo-2,5,8,11-Tetraazatridecan-13-Oate (1:1:1) (Non-Preferred Name)
• Caldiamide sodium
• Ccris 6697
• Dv-7572
• Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)
• Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium

Caldiamide Sodium

Controlled Product

CAS: 131410-50-9

Stability Hygroscopic
Applications Caldiamide Sodium is an analog of Gadodiamide (G125710) which is an apoptosis inducing agent used in chondrocytes. Gadodiamide is primarily used in muscoskeletal diagnosis as a contrast agent.
References Greisberg, J. et al.: Mag. Res. Imag., 19, 731 (2001); Hemmingsson, A. et al.: Mag. Res. Mat. Phys. Biol. Med., 12, 96 (2001)

Formula: C₁₆H₂₆CaN₅NaO₈

Color and Shape: Neat

Molecular weight: 479.48

Ref: TR-C145690

Caldiamide Sodium

CAS: 131410-50-9

Formula: C₁₆H₂₆N₅O₈CaNa

Molecular weight: 416.51 : 40.08 : 22.99

Ref: ST-EA-CP-G24008