Bioactive Compound Details

BioIDbio2646
NameEDETATE TRISODIUM
ChEMBL IDCHEMBL2028177
Molecular FormulaC10H13N2Na3O8
Molecular Weight358.19
Molecular Weight (Monoisotopic)358.0365
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEDETATE TRISODIUM|EDTA TRISODIUM|EDTA TRISODIUM SALT|LIMCLAIR|NSC-756746|TRISODIUM EDTA|VERSENE-9
SmilesO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
InchiInChI=1S/C10H16N2O8.3Na/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-3
Inchi KeyQZKRHPLGUJDVAR-UHFFFAOYSA-K
Molecular SpeciesNone
Targets2.0
Bioactivities2.0
Np Likeness ScoreNone
Records Key['SID26748013', 'EDETATE TRISODIUM']
Records Name['SID26748013', 'EDETATE TRISODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure