For research use only. Not for therapeutic Use.
Calcobutrol (CAT: R018873) serves as a crucial additive in the galenic formulations of gadobutrol, a gadolinium-containing contrast agent utilized in nuclear spin tomography (MRT). This agent enhances contrast in cranial and spinal MRT by exploiting the interaction between gadolinium(III) and a macrocyclic ligand called butrol. Calcobutrol sodium salt’s role is pivotal in preventing the release of free gadolinium ions, stabilizing the complex and ensuring safety. Gadobutrol’s pharmacologic action involves enhancing signal intensity during imaging, aiding in the visualization of soft tissues and abnormalities.
| Catalog Number | R018873 |
| CAS Number | 151878-23-8 |
| Synonyms | rel-10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid Calcium Salt (2:3); (R*,S*)-(±)-10-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid |
| Molecular Formula | C18H32CaN4O9 |
| Purity | ≥95% |
| Storage | Store at -20°C |
| IUPAC Name | calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate |
| InChI | InChI=1S/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 |
| InChIKey | GCLKDXFGQNCFQW-UHFFFAOYSA-L |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)C(CO)C(CO)O)CC(=O)[O-])CC(=O)[O-].[Ca+2] |
| Reference | 1. PROCESS FOR THE PREPARATION OF CALCOBUTROL. DE102009053171A·2009-11-04; EP2010066655W·2010-11-02. EP2496562A1·2012-09-12 |
