Gadofosveset Trisodium
trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Molecular Identity
Gadofosveset Trisodium
trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
PubChem CID: 73049652
2D Structure
Properties
C33H38GdN3Na3O14P
Molecular Formula
957.90
Molecular Weight
g/mol
958.1026
Exact Mass
Da
269
TPSA
May have limited oral absorption
0
H-Bond Donors
17
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3]Isomeric SMILES
SMILES: C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3]Synonyms(17)
Gadofosveset trisodiumVasovistDTXSID409410849430ZR8ZANRefChem:57018MS-32520DTXCID801513363211570-55-7gadolinium(3+) ion trisodium 2-((1-((2-(bis(carboxylatomethyl)amino)ethyl)(carboxylatomethyl)amino)-3-((4,4-diphenylcyclohexyl phosphonato)oxy)propan-2-yl)(carboxylatomethyl)amino)acetateAblavarMS 32520XM33Q67UVH193901-90-5MS 325; VasovistSCHEMBL29406892
Data from PubChem (NCBI)
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