Products 151878-23-8

CAS 151878-23-8 appears in our catalog under these names: Calcobutrol, >95% (HPLC), Calcobutrol, Calcobutrol 98%, rel-10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid, calcium salt, 98%, 98%. Offered by: TRC, Biosynth, Ambeed, Chemat. Available pack sizes: 2,5mg, 25mg, 0,25g, 0,1g, 0,5g, 1g, 100mg, 250mg.

Structural formula: {0} (CAS {1})

Calcium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydron (CAS 151878-23-8) is a chemical compound with the molecular formula C18H32CaN4O9 and a molecular weight of 488.5 g/mol. IUPAC name: calcium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydron. InChIKey: GCLKDXFGQNCFQW-CTHHTMFSSA-L.

Identity
Molecular formulaC18H32CaN4O9
Molecular weight488.5 g/mol
IUPAC namecalcium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydron
InChIKeyGCLKDXFGQNCFQW-CTHHTMFSSA-L
SMILES[H+].C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Ca+2]

Computed by PubChem (NCBI)