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306776-79-4

306776-79-4 Structure

306776-79-4 Structure
IdentificationBack Directory
[Name]

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, a-(2-carboxyethyl)-, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester
[CAS]

306776-79-4
[Synonyms]

DOTA-GA(tBu)4
DOTAGA-(COOt-Bu)4
DOTAGA-tetra (t-Bu ester)
DOTAGA-tetra(t-Butyl ester)
5-(tert-butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic Acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, a-(2-carboxyethyl)-, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, α-(2-carboxyethyl)-, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester
5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
[Molecular Formula]

C35H64N4O10
[MDL Number]

MFCD32011828
[MOL File]

306776-79-4.mol
[Molecular Weight]

700.9
Chemical PropertiesBack Directory
[Boiling point ]

710.3±60.0 °C(Predicted)
[density ]

1.081±0.06 g/cm3(Predicted)
[solubility ]

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

Solid
[pka]

4.52±0.10(Predicted)
[color ]

Pale Yellow to Dark Yellow
[Stability:]

Hygroscopic
[InChIKey]

SUAUFMLRKFUOID-UHFFFAOYSA-N
[SMILES]

N1(C(CCC(O)=O)C(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

5-(tert-butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic Acid has been used in synthesis of; GdDOTAGA(C18)2: an efficient amphiphilic Gd(III) chelate for the preparation of self-assembled high relaxivity MRI nanoprobes; bifunctional prochelators for coupling to bioactive peptides for radiometal labeling; DOTAGA-anhydride, building block for prepn. of DOTA-like chelating agents.
[IC 50]

RDC Bifunctional Chelator
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