Galmydar GA-68
2-[[3-[2-[[2,2-dimethyl-3-[(2-oxido-3-propan-2-yloxyphenyl)methylideneamino]propyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]-6-propan-2-yloxyphenolate;gallium-68(3+);iodide
Molecular Identity
Galmydar GA-68
2-[[3-[2-[[2,2-dimethyl-3-[(2-oxido-3-propan-2-yloxyphenyl)methylideneamino]propyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]-6-propan-2-yloxyphenolate;gallium-68(3+);iodide
PubChem CID: 60164010
2D Structure
Properties
C32H48GaIN4O4
Molecular Formula
747.60
Molecular Weight
g/mol
747.2000
Exact Mass
Da
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=CC=CC(=C1[O-])C=NCC(C)(C)CNCCNCC(C)(C)CN=CC2=C(C(=CC=C2)OC(C)C)[O-].[Ga+3].[I-]Isomeric SMILES
SMILES: CC(C)OC1=CC=CC(=C1[O-])C=NCC(C)(C)CNCCNCC(C)(C)CN=CC2=C(C(=CC=C2)OC(C)C)[O-].[68Ga+3].[I-]Synonyms(9)
68Ga-GalmydarGalmydar Ga-684PJX596UYL1393486-96-8RefChem:922025(68Ga)GalmydarUNII-4PJX596UYLGallium(1+), ((rel-2,2'-((5R,9R)-4,4,11,11-tetramethyl-2,6,9,13-tetraazatetradeca-1,13-diene-1,14-diyl-kappaN2,kappaN6,kappaN9,kappaN13)bis(6-(1-methylethoxy)phenolato-kappaO))(2-))-, iodide (1:1), (OC-6-13)-GALLIUM(1+), ((REL-2,2'-((5R,9R)-4,4,11,11-TETRAMETHYL-2,6,9,13-TETRAAZATETRADECA-1,13-DIENE-1,14-DIYL-.KAPPA.N2,.KAPPA.N6,.KAPPA.N9,.KAPPA.N13)BIS(6-(1-METHYLETHOXY)PHENOLATO-.KAPPA.O))(2-))-, IODIDE (1:1), (OC-6-13)-
Data from PubChem (NCBI)
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