Products 827020-81-5

CAS 827020-81-5 is the registry number for 14:0 Pe-dtpa (gd). Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, Get quote.

14:0 Pe-dtpa (gd)
Biosynth, MedChemExpress
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

Azane;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylimino]-2-oxidoethyl]amino]ethyl]amino]acetate;gadolinium(3+) (CAS 827020-81-5) is a chemical compound with the molecular formula C47H90GdN6O17P and a molecular weight of 1199.5 g/mol. IUPAC name: azane;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylimino]-2-oxidoethyl]amino]ethyl]amino]acetate;gadolinium(3+). InChIKey: AUHUMEYUEQZXQO-DWRYNJLHSA-K.

Identity
Molecular formulaC47H90GdN6O17P
Molecular weight1199.5 g/mol
IUPAC nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylimino]-2-oxidoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
InChIKeyAUHUMEYUEQZXQO-DWRYNJLHSA-K
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN=C(CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-])CC(=O)[O-])[O-])OC(=O)CCCCCCCCCCCCC.N.N.[Gd+3]

Computed by PubChem (NCBI)