Gadobutrol Impurity 91

cas: 913542-71-9 — see every product listed under this CAS number, including other names

Gadobutrol Impurity 91 (CAS 913542-71-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-G040291
cas913542-71-9
sizeon request
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Structural formula: {0} (CAS {1})

2-[7-(carboxymethyl)-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 913542-71-9) is a chemical compound with the molecular formula C24H44N4O8 and a molecular weight of 516.6 g/mol. IUPAC name: 2-[7-(carboxymethyl)-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: WRUJMBQKNNMUAY-UHFFFAOYSA-N.

Identity
Molecular formulaC24H44N4O8
Molecular weight516.6 g/mol
IUPAC name2-[7-(carboxymethyl)-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyWRUJMBQKNNMUAY-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)OC(C)(C)C)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: DOTA di(tBu)ester, Gadobutrol Impurity 91, Gadoteridol impurity 34, Gadoteridol impurity 35, DOTA-bis(tert-butyl)ester, WRUJMBQKNNMUAY-UHFFFAOYSA-N, 1,7-Bis(1,1-dimethylethyl) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
Isomers (same molecular formula)
ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate C24H44N4O8

Also listed as

DOTA di(tBu)ester 95% Ambeed CAS 913542-71-9
2，2'-(4，10-Bis(2-(tert-butoxy)-2-oxoethyl)-1，4，7，10-tetraazacyclododecane-1，7-diyl)diacetic acid, 95%, 95% Chemat CAS 913542-71-9
DOTA-bis(tert-butyl)ester, 99.25% MedChemExpress CAS 913542-71-9
2,2'-(4,10-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid, 98% Fluorochem CAS 913542-71-9