gadobutrol (Q2570844)

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chemical compound
  • gadolinium(III) 2,2',2''-(10-((2R,3S )-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
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Language Label Description Also known as
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  • ZK 135079
English
gadobutrol
chemical compound
  • gadolinium(III) 2,2',2''-(10-((2R,3S )-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Statements

chemical structure
Gadobutrol skeletal.svg
239 × 203; 57 KB
0 references
mass
605.133207472 dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₃₁GdN₄O₉
1 reference
stated in
DrugBank
DrugBank ID
DB06703
language of work or name
English
title
Gadobutrol (English)
publication date
17 November 2015
canonical SMILES
O=C([O-])CN1CCN(CC(=O)[O-])CCN(C(CO)C(O)CO)CCN(CC(=O)[O-])CC1.[Gd 3]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C([O-])CN1CCN(CC(=O)[O-])CCN([C@@H](CO)[C@@H](O)CO)CCN(CC(=O)[O-])CC1.[Gd 3]
1 reference
based on heuristic
inferred from InChI
legal status (medicine)
boxed warning
1 reference
reference URL
https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
title
FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

Identifiers

ChemSpider ID
4810341
1 reference
stated in
ChemSpider
ChemSpider ID
4810341
language of work or name
English
title
Gadolinium 2,2',2''-{10-[(2R,3S)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate (English)
retrieved
4 October 2016
26330337
reason for deprecated rank
applies to other chemical entity
1 reference
stated in
ChemSpider
ChemSpider ID
26330337
language of work or name
English
title
Gadolinium 2,2',2''-[10-(1,3,4-trihydroxy-2-butanyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate (English)
retrieved
4 October 2016
28533281
reason for deprecated rank
deprecated identifier value
1 reference
stated in
ChemSpider
ChemSpider ID
28533281
language of work or name
English
title
[2,2',2''-{10-[(2S,3R)-1,3,4-Trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl-kappa~4~N~1~,N~4~,N~7~,N~10~}triacetato(3-)]gadolinium (English)
retrieved
4 October 2016
34991121
1 reference
stated in
ChemSpider
ChemSpider ID
34991121
language of work or name
English
title
Gadolinium 2,2',2''-{10-[(2S,3S)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate (English)
retrieved
4 October 2016
34991122
1 reference
stated in
ChemSpider
ChemSpider ID
34991122
language of work or name
English
title
Gadolinium 2,2',2''-{10-[(2R,3R)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate (English)
retrieved
4 October 2016
35308312
reason for deprecated rank
applies to other chemical entity
1 reference
stated in
ChemSpider
ChemSpider ID
35308312
language of work or name
English
title
Gadolinium 2,2',2''-{10-[(2R)-1,3,4-trihydroxy-2-butanyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate (English)
retrieved
4 October 2016
HSDB ID
8231
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
8231
publication date
28 October 2019
title
Gadobutrol (English)
retrieved
10 May 2021
Freebase ID
/m/04ggbl9
0 references
 
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