2,2'-(4,10-Bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid, 98%

cas: 2514736-58-2 — see every product listed under this CAS number, including other names

2,2'-(4,10-Bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid, 98% (CAS 2514736-58-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberACLESA301
cas2514736-58-2
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properties

purity98%
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

2-[7-(carboxymethyl)-4,10-bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 2514736-58-2) is a chemical compound with the molecular formula C20H40N4O10 and a molecular weight of 496.6 g/mol. IUPAC name: 2-[7-(carboxymethyl)-4,10-bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: UZGVIPBQSKRZAA-UHFFFAOYSA-N.

Identity
Molecular formulaC20H40N4O10
Molecular weight496.6 g/mol
IUPAC name2-[7-(carboxymethyl)-4,10-bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyUZGVIPBQSKRZAA-UHFFFAOYSA-N
SMILESC1CN(CCN(CCN(CCN1CC(=O)O)C(CO)C(CO)O)CC(=O)O)C(CO)C(CO)O

Computed by PubChem (NCBI)

Synonyms: Gadobutrol EP Impurity A, Gadobutrol impurity 177
Isomers (same molecular formula)
(2R,3S,4S,5R,6S)-2-[(1R)-1-aminoethyl]-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol C20H40N4O10
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol C20H40N4O10