Description:
Gadobutrol is a nonionic, paramagnetic contrast agent developed for tissue contrast enhancement in magnetic resonance imaging (MRI). It has a macrocyclic framework and is neutral. It is a water-soluble, highly hydrophilic compound with a partition coefficient between n-butanol and buffer at pH 7.6 of ~ 0.006.
- Molecular Weight: 604.71
- Molecular Formula: C18H31GdN4O9
Purity: 98%
Canonical SMILES:
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]
InChI:
InChI=1S/C18H34N4O9.Gd/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;+3/p-3/t14-,15-;/m1./s1
InChIKey: ZPDFIIGFYAHNSK-CTHHTMFSSA-K
- Melting Point: >300°C (dec.)
- Solubility: Easily soluble in water, slightly soluble in methanol and ethanol, practically insoluble in chloro-form and acetone.
- Appearance: White, Odorless Amorphous Powder
- Application: A gadolinium-based MRI contrast agent (GBCA)
- Storage: 2-8 °C
Synonyms:
Gadograf; Gadovist; Protovist; ZK 135079; Gd-DO3A-butrol; Gallium 10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate; AK325914; gallium
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