CHEBI:64758 - EDTA disodium salt dihydrate

ChEBI IDCHEBI:64758
ChEBI NameEDTA disodium salt dihydrate
Stars
DefinitionA hydrate that is the dihydrate form of EDTA disodium salt.
Secondary ChEBI IDCHEBI:31511
Last Modified6 March 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H14N2O8.2H2O.2Na
Net Charge0
Average Mass372.238
Monoisotopic Mass372.07568
SMILESO.O.O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.2Na.2H2O/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);;;2*1H2/q;2*+1;;/p-2
InChIKeyOVBJJZOQPCKUOR-UHFFFAOYSA-L
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
EDTA disodium salt dihydrate (CHEBI:64758) has part EDTA disodium salt (anhydrous) (CHEBI:64734)
EDTA disodium salt dihydrate (CHEBI:64758) has role anticoagulant (CHEBI:50249)
EDTA disodium salt dihydrate (CHEBI:64758) has role chelator (CHEBI:38161)
EDTA disodium salt dihydrate (CHEBI:64758) is a hydrate (CHEBI:35505)
IUPAC Name 
disodium 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate—water (1/2)
Synonyms  Source
disodium (ethylenedinitrilo)tetraacetate dihydrateChemIDplus
EDTA disodium dihydrateChemIDplus
disodium edetate dihydrateChemIDplus
edetate disodiumChemIDplus
disodium EDTA dihydrateChemIDplus
ethylenediaminetetraacetic acid disodium salt dihydrateChemIDplus
Brand Name  Source
EndrateKEGG DRUG
Manual XrefsDatabases
D01802KEGG DRUG
Registry NumbersSources
Reaxys:3900609Reaxys
CAS:6381-92-6ChemIDplus
Citations