# Sodium ferric EDDHA

CAS: 16455-61-1
PubChem CID: 56846438
InChIKey: TXJTUGACWVICPL-UHFFFAOYSA-M
Molecular formula: C₁₈H₁₆FeN₂NaO₆
Molar mass: 438.2 g/mol
IUPAC: sodium;2-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]phenolate;iron
SMILES: C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2[O-])C(=O)O)O.[Na+].[Fe]
InChI: InChI=1S/C18H20N2O6.Fe.Na/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22;;/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26);;/q;;+1/p-1
PSA: 142 A^2
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 28
3D structure: 47 atoms, 50 bonds

## About the compound

Sodium ferric EDDHA is a chemical compound registered under CAS number 16455-61-1. Molecular formula: C₁₈H₁₆FeN₂NaO₆. Molar mass: 438.2 g/mol. The full systematic IUPAC name is: sodium;2-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]phenolate;iron. The molecule contains 47 atoms connected by 50 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/16455-61-1/


## Synonyms

  - Sodium ferric EDDHA
  - RefChem:887531
  - 16455-61-1
  - MFCD09752833
  - AKOS015914147
  - AKOS025311546
  - F20618

## Data sources

  - PubChem CID 56846438: https://pubchem.ncbi.nlm.nih.gov/compound/56846438
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=16455-61-1
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=16455-61-1

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Last updated: 2026-11-06
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