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Gadobutrol Impurity 9

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Gadobutrol Impurity 9 is an impurity of Gadobutrol, which is a nonionic, paramagnetic contrast agent developed for tissue contrast enhancement in magnetic resonance imaging (MRI).

Category

Other Unnatural Amino Acids

Catalog number

BAT-008964

CAS number

60239-18-1

Molecular Formula

C16H28N4O8

Molecular Weight

404.42

Specification

IUPAC Name

2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Synonyms

DOTA; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid; 1,4,7,10-Tetra(carboxymethyl)-1,4,7,10-tetraazacyclododecane; 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid; NSC 681107; Tetraxetan

Appearance

White to off-white powder

Purity

> 95 %

Melting Point

>225 °C (dec.)

InChI

InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

InChI Key

WDLRUFUQRNWCPK-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O