ChemicalBook--->CAS DataBase List--->92943-93-6

92943-93-6

92943-93-6 Structure

92943-93-6 Structure
IdentificationBack Directory
[Name]

gadolinium DOTA meglumine
[CAS]

92943-93-6
[Synonyms]

P 449
Dotarem
Magnescope
Gd-DOTA meglumine
MEGLUMINE GADOTERATE
Gsdolnium DOTA meglumino
gadolinium DOTA meglumine
Gadoteric acid meglumine salt
gadolinium DOTA meglumine USP/EP/BP
gadolinium 2,2',2''-[10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate - 1-deoxy-1-(methylamino)-D-glucitol (1:1)
Gadolinium 2,2',2''-[10-(carboxymethyl)-1,4,7,10-tetraazacyclodod Ecane-1,4,7-triyl]triacetate - 1-deoxy-1-(methylamino)-d-glucitol (1:1:1)
D-Glucitol, 1-deoxy-1-(methylamino)-, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7,kO10]gadolinate(1-) (1:1)
[Molecular Formula]

C16H24GdN4O8.C7H17NO5.H
[MDL Number]

MFCD01725577
[MOL File]

92943-93-6.mol
[Molecular Weight]

753.86
Chemical PropertiesBack Directory
[form ]

Solid
[color ]

White to off-white
[Major Application]

pharmaceutical (small molecules)
[InChIKey]

RYHQMKVRYNEBNJ-TXRPULLXNA-K
[SMILES]

[C@@H](O)([C@@H](O)CNC)[C@H](O)[C@H](O)CO.O=C1CN23CCN45CCN67CCN8(CC2)CC(=O)[O-][Gd+3]3486([O-]C(=O)C5)([O-]C(=O)C7)[O-]1.[H+] |&1:0,2,7,9,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazardous Substances Data]

92943-93-6(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

Gadolinium Dota Meglumine is used in the preparation of Macrocyclic Gadolinium-?Based Contrast Agents.
[Definition]

ChEBI: An organoammonium salt obtained by reaction of gadoteric acid with one equivalent of 1-deoxy-1-(methylamino)-D-glucitol (meglumine). It is used in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of pa ients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system.
[Synthesis]

Add 11.8kg of chloroacetic acid and 12l of purified water to 100L reactor, stir to dissolve, add 15l of water dissolved with 5kg of sodium hydroxide under ice bath, add 3.2kg of rotary cyclotonin suspended in 6l of water to the reaction, warm up to 80~85℃
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