Products 3077081-49-0
CAS 3077081-49-0 is the registry number for DOPE-DOTA (Gd) (ammonium). Offered by: MedChemExpress. Available pack sizes: Get quote.
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.
| Molecular formula | C57H104GdN6O15P |
|---|---|
| Molecular weight | 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 |
| SMILES | CCCCCCCC/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