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CHEBI:31643 - gadoteridol

ChEBI IDCHEBI:31643
ChEBI Namegadoteridol
Stars
DefinitionA non-ionic gadolinium chelate having a macrocyclic tetraamine framework. It is used as a paramagnetic contrast agent in magnetic resonance imaging (MRI).
Last Modified20 April 2010
DownloadsMolfile
FormulaC17H29GdN4O7
Net Charge0
Average Mass558.690
Monoisotopic Mass559.12773
SMILES[H][O]1C(C)C[N]23CC[N]45CC[N]67CC[N]8(CC2)CC(=O)[O-][Gd+3]16483([O-]C(=O)C7)[O-]C(=O)C5
InChIInChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
InChIKeyDPNNNPAKRZOSMO-UHFFFAOYSA-K
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
gadoteridol (CHEBI:31643) has role MRI contrast agent (CHEBI:37335)
gadoteridol (CHEBI:31643) is a gadolinium coordination entity (CHEBI:35730)
IUPAC Name 
[2,2',2''-{10-[2-(hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl-κ4N1,N4,N7,N10}triacetato-κO(3−)]gadolinium
INNs  Source
gadoteridolKEGG DRUG
gadoteridolumChemIDplus
Synonyms  Source
gadoteridolChemIDplus
gadolinium 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetateIUPAC
Gd-HPDO3AChEBI
gadolinium-HP-DO3AChemIDplus
GD-HP-DO 3AChemIDplus
Manual XrefsDatabases
D01137KEGG DRUG
DB00597DrugBank
EP292689Patent
US4885363Patent
GadoteridolWikipedia
Registry NumbersSources
Gmelin:897397Gmelin
CAS:120066-54-8ChemIDplus