Gadobutrol
2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
Molecular Identity
Gadobutrol
2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
PubChem CID: 6102852
2D Structure
Properties
C18H31GdN4O9
Molecular Formula
604.70
Molecular Weight
g/mol
605.1332
Exact Mass
Da
194
TPSA
May have limited oral absorption
3
H-Bond Donors
13
H-Bond Acceptors
532
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]Isomeric SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3]Synonyms(20)
GadobutrolGadograf770691-21-9ProtovistZK 1350791BJ477IO2LDTXSID101027434GadavistBAY86-4875ZK-135079Gd-DO3A-butriolgadobutrolumGadolinium, (10-(2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)-ProtovisCHEBI:68841
Data from PubChem (NCBI)
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