ChemicalBook--->CAS DataBase List--->112188-16-6

112188-16-6

112188-16-6 Structure

112188-16-6 Structure
IdentificationBack Directory
[Name]

GADOTERIDOL RELATED COMPOUND B (50 MG) (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, MONOGADOLINIUM SALT)
[CAS]

112188-16-6
[Synonyms]

Gd-DO 3A
Gadobutrol Impurity 100
Gadolinium Butanol Impurity 7
Gadolinium alcohol impurity C
Gadoteridol Related CoMpound B
Des(2-Hydroxypropyl) Gadoteridol
Gadobutrol EP Impurity C (Gadoteridol USP Related Compound B)
gadolinium(III) 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid gadolinium complex
2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate:gadolinium(3+)
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, gadolinium complex (Gadobutrol Impurity)
Gadolinium, [1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-
Gadoteridol Related Compound B (1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, monogadolinium (1287653)
Gadoteridol Related Compound B (50 mg) (1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, monogadolinium salt)
GADOTERIDOL RELATED COMPOUND B (50 MG) (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, MONOGADOLINIUM SALT)
[Molecular Formula]

C14H22GdN4O6
[MDL Number]

MFCD28976075
[MOL File]

112188-16-6.mol
[Molecular Weight]

499.6
Chemical PropertiesBack Directory
[Melting point ]

>300°C
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C14H25N4O6.Gd/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);/q-1;+4/p-3
[InChIKey]

ADBHHYXJOIUPRL-UHFFFAOYSA-K
[SMILES]

O=C1CN23CCN45CCN6CCN7(CC2)CC(=O)[O-][Gd+3]3476([O-]C(=O)C5)[O-]1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2942000000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Des(2-hydroxypropyl) Gadoteridol is a contrast imaging agent metabolite from Gadoteridol (G125900), used as an MRI contrast chelating agent.
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