Products 1629237-26-8

CAS 1629237-26-8 appears in our catalog under these names: Calcobutrol, Gadobutrol Impurity 1 . Offered by: Chemat Brand. Available pack sizes: on request.

Calcobutrol
Chemat Brand
  • size: on request
  • Variants: 1
View product
Gadobutrol Impurity 1
Chemat Brand
  • size: on request
  • Variants: 1
View product
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