CAS 151878-23-8

calcium 2,2'-[7-(carboxymethyl)-10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl]diacetate

Description:

Calcium 2,2'-[7-(carboxymethyl)-10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl]diacetate, commonly referred to by its CAS number 151878-23-8, is a complex organic compound that features a tetraazacyclododecane backbone, which is a cyclic structure containing four nitrogen atoms. This compound is characterized by its chelating properties, allowing it to form stable complexes with metal ions, particularly calcium. The presence of carboxymethyl and trihydroxybutyl functional groups enhances its solubility in aqueous environments and contributes to its potential applications in biochemistry and medicine, such as in drug delivery systems or as a calcium supplement. Its structural complexity and functional groups suggest that it may exhibit interesting biological activities, including potential antioxidant properties. Additionally, the compound's ability to interact with calcium ions makes it relevant in studies related to calcium metabolism and transport in biological systems. Overall, this substance represents a significant area of interest in coordination chemistry and medicinal applications.

Formula: C₁₈H₃₂CaN₄O₉

InChI: InChI=1/C18H34N4O9.Ca/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2

SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O.[Ca]

rel-10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid, calcium salt

CAS: 151878-23-8

Formula: C₁₈H₃₂CaN₄O₉

Purity: 98%

Color and Shape: Solid

Molecular weight: 488.5461

Ref: IN-DA007DVS

rel-Calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate

CAS: 151878-23-8

rel-Calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate

Purity: 98%

Molecular weight: 488.55g/mol

Ref: 54-IN12965

Calcobutrol

Controlled Product

CAS: 151878-23-8

Stability Hygroscopic
Applications Calcobutrol, is a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agentfor Magnetic Resonance Imaging (MRI).
References Platzek, J. et al.: Inorg. Chem., 36, 6086 (1997);

Formula: C₁₈H₃₂CaN₄O₉

Color and Shape: Neat

Molecular weight: 488.55

Ref: TR-C145700

Calcobutrol Calcium Salt

CAS: 151878-23-8

Formula: C₁₈H₃₃N₄O₉Ca

Molecular weight: 449.5 : 40.1

Ref: ST-EA-CP-C256000

Calcobutrol

CAS: 151878-23-8

Calcobutrol is a calcium salt that is the byproduct of the reaction between phosphoric acid and calcium carbonate. It has been crystallised as an acidic calcium phosphate salt. Calcobutrol has a molecular weight of 210.13 g/mol and a melting point of 240°C. The compound is insoluble in water, but can be dissolved in dilute acids or alkalis. Calcobutrol has shown to have a ligand affinity for gadolinium (Gd3+), which may be due to its ability to bind with phosphate ions and sodium ions.
Calcobutrol diffracts X-rays with a wavelength of 0.154 nm, which corresponds to its crystal lattice spacing of 0.154 nm, and has been used as a standard for this type of diffraction in studies on Gd3+.

Formula: C₃₆H₆₂Ca₃N₈O₁₈

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 1,015.15 g/mol

Ref: 3D-FC176827