CHEBI:31643 - gadoteridol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gadoteridol
ChEBI ID CHEBI:31643
Definition A non-ionic gadolinium chelate having a macrocyclic tetraamine framework. It is used as a paramagnetic contrast agent in magnetic resonance imaging (MRI).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formulae C17H29GdN4O7
C17H29N4O7.Gd
Net Charge 0
Average Mass 558.68000
Monoisotopic Mass 559.12773
InChI InChI=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
InChIKey DPNNNPAKRZOSMO-UHFFFAOYSA-K
SMILES [H][O]1C(C)C[N]23CC[N]45CC[N]67CC[N]8(CC2)CC(=O)[O-][Gd+3]13468([O-]C(=O)C5)[O-]C(=O)C7
Roles Classification
Application(s): MRI contrast agent

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
gadoteridol KEGG DRUG
gadoteridolum ChemIDplus
Synonyms Sources
gadolinium 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate IUPAC
gadolinium-HP-DO3A ChemIDplus
gadoteridol ChemIDplus
GD-HP-DO 3A ChemIDplus
Gd-HPDO3A ChEBI
Manual Xrefs Databases
D01137 KEGG DRUG
DB00597 DrugBank
EP292689 Patent
Gadoteridol Wikipedia
US4885363 Patent
View more database links
Registry Numbers Types Sources
120066-54-8 CAS Registry Number ChemIDplus
897397 Gmelin Registry Number Gmelin
Last Modified
20 April 2010