Products 1801159-68-1

CAS 1801159-68-1 is the registry number for Gadosircoclamide. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

2-[4,7-bis(carboxylatomethyl)-10-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+) (CAS 1801159-68-1) is a chemical compound with the molecular formula C23H38GdN5O7 and a molecular weight of 653.8 g/mol. IUPAC name: 2-[4,7-bis(carboxylatomethyl)-10-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+). InChIKey: WLGKYUHFVHWAGK-UHFFFAOYSA-K.

Identity
Molecular formulaC23H38GdN5O7
Molecular weight653.8 g/mol
IUPAC name2-[4,7-bis(carboxylatomethyl)-10-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
InChIKeyWLGKYUHFVHWAGK-UHFFFAOYSA-K
SMILESC1CCC(CC1)CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

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