Gadofosveset
2-[[(2R)-2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
Molecular Identity
Gadofosveset
2-[[(2R)-2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
PubChem CID: 73415770
2D Structure
Properties
C33H41GdN3O14P
Molecular Formula
891.90
Molecular Weight
g/mol
892.1567
Exact Mass
Da
269
TPSA
May have limited oral absorption
3
H-Bond Donors
17
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: [H+].[H+].[H+].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.[Gd+3]Isomeric SMILES
SMILES: [H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OC[C@@H](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.[Gd+3]Synonyms(19)
GadofosvesetE65RW73PHS201688-00-8(N-(2-(Bis(carboxymethyl)amino)ethyl)-N-((R)-2-(bis(carboxymethyl)amino)-3-hydroxypropyl)glycine 4,4-diphenylcyclohexyl hydrogen phosphato (6-))gadolinate(3-)DTXSID401027790gadofosvesetumRefChem:142057Trisodium (N-(2-(bis(carboxymethyl)amino)ethyl)-N-((R)-2-(bis(carboxymethyl)amino)-3-hydroxypropyl)glycine 4,4-diphenylcyclohexyl hydrogen phosphato (6-))gadolinate(3-)V08CA11DTXCID701513360Gadofosveset [MI]Gadofosveset [INN]Gadofosveset [WHO-DD]D-Gulonic acid [MI]UNII-E65RW73PHS
Data from PubChem (NCBI)
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