Molecular Identity
Omniscan
2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate
PubChem CID: 60754
2D Structure
Properties
C16H28GdN5O9
Molecular Formula
591.67
Molecular Weight
g/mol
592.1128
Exact Mass
Da
189
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
527
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3]Isomeric SMILES
SMILES: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3]Synonyms(20)
122795-43-1Omniscan2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrateCAS-122795-43-1NCGC00182547-01NCGC00184996-01orb1685656SCHEMBL3175139GLXC-24161Tox21_112999Tox21_113000s1751AKOS015967052Tox21_113000_1CCG-270164
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Omniscan
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