Products 60239-18-1

CAS 60239-18-1 appears in our catalog under these names: Gadobutrol Impurity 9, DOTA, >95% (HPLC), Tetraxetan, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid, >97.0%(T). Offered by: Chemat Brand, TRC, Mikromol, Biosynth, TCI. Available pack sizes: on request, 100mg, 250mg, 500mg, 5g, 2g, 200mg, 1g.

DOTA is an azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. It has a role as a copper chelator and a chelator. It derives from a hydride of a 1,4,7,10-tetraazacyclododecane.

Source: ChEBI

Identity
Molecular formulaC16H28N4O8
Molecular weight404.42 g/mol
IUPAC name2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyWDLRUFUQRNWCPK-UHFFFAOYSA-N
SMILESC1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)