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CHEBI:78292 - sodium feredetate

Default Structure
ChEBI IDCHEBI:78292
ChEBI Namesodium feredetate
Stars
DefinitionAn iron chelate resulting from the deprotonation of all four carboxy groups of ethylenediaminetetraacetic acid and the addition of an iron(3+) and a sodium ion. It is used for the treatment of iron deficiency anaemia.
Last Modified27 April 2015
Submittertmorrison
DownloadsMolfile
FormulaC10H12FeN2O8.Na
Net Charge0
Average Mass367.047
Monoisotopic Mass366.98407
SMILESO=C([O-])C[N+]12CC[N+]34CC(=O)[O][Fe-2]13([O]C(=O)C2)[O]C(=O)C4.[Na+]
InChIInChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4
InChIKeyMKWYFZFMAMBPQK-UHFFFAOYSA-J
Roles Classification
Application:
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
ChEBI Ontology
Outgoing Relation(s)
sodium feredetate (CHEBI:78292) has part iron(3+) (CHEBI:29034)
sodium feredetate (CHEBI:78292) has role anti-anaemic agent (CHEBI:75835)
sodium feredetate (CHEBI:78292) is a iron chelate (CHEBI:5975)
sodium feredetate (CHEBI:78292) is a organic sodium salt (CHEBI:38700)
IUPAC Names 
iron(3+) sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate
sodium {2,2',2'',2'''-[ethane-1,2-diyldi(nitrilo-κN)]tetraacetato-κO(4−)}ferrate(1−)
INNs  Source
feredato de sodioWHO MedNet
ferédétate de sodiumWHO MedNet
feredetato de sodioWHO MedNet
natrii feredetasChemIDplus
sodium feredetateChemIDplus
Synonyms  Source
edathamil monosodium ferric saltChemIDplus
Edetic acid sodium iron saltChEMBL
Edta ferric sodium saltChEMBL
Edta, iron (iii) sodiumChEMBL
Edta iron(iii) sodium saltChEMBL
FerrazoneChEMBL
Brand Name  Source
CalmosineChemIDplus
Manual XrefsDatabases
D07145KEGG DRUG
Registry NumbersSources
CAS:15708-41-5ChemIDplus
CAS:15708-41-5KEGG DRUG
Citations