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CHEBI:31643 - gadoteridol
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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.
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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-
κ
O
)propyl]-
1,4,7,10-
tetraazacyclododecane-
1,4,7-
triyl-
κ
4
N
1
,
N
4
,
N
7
,
N
10
}triacetato-
κ
O
(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