Calcobutrol

cas: 1629237-26-8 — see every product listed under this CAS number, including other names

Calcobutrol (CAS 1629237-26-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C012900
cas1629237-26-8
sizeon request
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Structural formula: {0} (CAS {1})

Calcium 2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 1629237-26-8) is a chemical compound with the molecular formula C18H32CaN4O9 and a molecular weight of 488.5 g/mol. IUPAC name: calcium 2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: GCLKDXFGQNCFQW-CTHHTMFSSA-L.

Identity
Molecular formulaC18H32CaN4O9
Molecular weight488.5 g/mol
IUPAC namecalcium 2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKeyGCLKDXFGQNCFQW-CTHHTMFSSA-L
SMILESC1CN(CCN(CCN(CCN1CC(=O)O)[C@H](CO)[C@@H](CO)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]

Computed by PubChem (NCBI)

Synonyms: alcobutrol, Calcobutrol Calcium Salt, CALCOBUTROL CALCIUM, (hydroxymethyl)propyl]-,calcium salt, 1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid,10-[[1R,25)-2,3-dihydroxy-1-
Related forms of this compound
calcium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydron C18H32CaN4O9

Also listed as

Gadobutrol Impurity 1 Chemat Brand CAS 1629237-26-8