# Sodium ferric EDDHA

**CAS:** 16455-61-1  
**PubChem CID:** [56846438](https://pubchem.ncbi.nlm.nih.gov/compound/56846438)  
**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]`  
**InChIKey:** `TXJTUGACWVICPL-UHFFFAOYSA-M`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 142 Ų |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 1 |
| Heavy atoms | 28 |

## 3D structure

The molecule contains 47 atoms connected by 50 chemical bonds. Interactive 3D model 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 · Generator: MOL-GOD v3.12.33*