API reference
Gadobutrol
- CAS number
- 770691-21-9
- Molecular formula
- C18H31GdN4O9
- Molecular weight
- 604.7 g/mol
About this molecule
Gadobutrol is a gadolinium-based, hydrophilic, macrocyclic, electrically neutral contrast agent used in contrast-enhanced MRI (CE-MRI). Gadobutrol is a non-ionic, paramagnetic complex consisting of gadolinium (Gd3+) chelated with the macrocyclic compound dihydroxy-hydroxymethylpropyl-tetraazacyclododecane-triacetic acid (butrol). Following intravenous administration, gadobutrol may increase MRI sensitivity for the detection of tumors and inflammatory and demyelinating diseases of the central nervous system (CNS) that are associated with areas with blood-brain barrier defects due to altered perfusion or an enlarged extracellular space. This agent is eliminated in an unchanged form via the kidneys; extra-renal elimination is negligible.
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- IUPAC name
- 2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
- InChIKey
- ZPDFIIGFYAHNSK-CTHHTMFSSA-K
- SMILES
- C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3]
- Other CAS numbers recorded
- 138071-82-6
- PubChem CID
- 6102852
Also known as
Gadobutrol · Gadograf · Protovist · Gadavist · Gd-DO3A-butriol · gadobutrolum · Protovis · V08CA09
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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