DOPE-DOTA (Gd) (ammonium)

cas: 3077081-49-0 — see every product listed under this CAS number, including other names

DOPE-DOTA (Gd) (ammonium) (CAS 3077081-49-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Azanium;2-[4-[2-[2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+) (CAS 3077081-49-0) is a chemical compound with the molecular formula C57H104GdN6O15P and a molecular weight of 1301.7 g/mol. IUPAC name: azanium;2-[4-[2-[2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+). InChIKey: NZCOZFFVEWEZMN-NFESXEJCSA-K.

Identity
Molecular formulaC57H104GdN6O15P
Molecular weight1301.7 g/mol
IUPAC nameazanium;2-[4-[2-[2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
InChIKeyNZCOZFFVEWEZMN-NFESXEJCSA-K
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+].[Gd+3]

Computed by PubChem (NCBI)

Synonyms: orb3144820

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