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120041-08-9

120041-08-9 Structure

120041-08-9 Structure
IdentificationBack Directory
[Name]

GADOTERIDOL RELATED COMPOUND A (50 MG) (10-(2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODE-CANE-1,4,7-TRIACETIC ACID)
[CAS]

120041-08-9
[Synonyms]

HP-DO3A
DesgadoliniuM Gadoteridol
Gadoteridol Related CoMpound A
10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-hydroxypropyl)-
1,4,7-Tris(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecan-1-
2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid
Gadoteridol Related Compound A (10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic (1287642)
Gadoteridol Related Compound A (50 mg) (10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid)
GADOTERIDOL RELATED COMPOUND A (50 MG) (10-(2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODE-CANE-1,4,7-TRIACETIC ACID)
[Molecular Formula]

C17H32N4O7
[MDL Number]

MFCD28976074
[MOL File]

120041-08-9.mol
[Molecular Weight]

404.46
Chemical PropertiesBack Directory
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C17H32N4O7/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)
[InChIKey]

IQUHNCOJRJBMSU-UHFFFAOYSA-N
[SMILES]

N1(CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)CC(O)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2942000000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Desgadolinium Gadoteridol is an impurity in the synthesis of Gadoteridol (G125900), which is used an MRI contrast chelating agent.
[Definition]

ChEBI: H3HP-DO3A is a tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10. It is a conjugate acid of a HP-DO3A(3-). It derives from a hydride of a 1,4,7,10-tetraazacyclododecane.
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