Sodium ferric EDDHA

CAS 16455-61-1  ·  C₁₈H₁₆FeN₂NaO₆  ·  MW 438.2 g/mol

Full record: Sodium ferric EDDHA — Safety Data Sheet →

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3D model Sodium ferric EDDHA, CAS 16455-61-1, molecular formula C₁₈H₁₆FeN₂NaO₆, molar mass 438.2 g/mol
About Sodium ferric EDDHA

Sodium ferric EDDHA is a chemical compound registered under number CAS 16455-61-1, with the molecular formula C₁₈H₁₆FeN₂NaO₆, and a molar mass of 438.2 g/mol.

The molecule contains 47 atoms connected by 50 chemical bonds. The full systematic IUPAC name of this compound is sodium;2-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]phenolate;iron. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 142 Ų, 5 donors and 8 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC₁₈H₁₆FeN₂NaO₆
Molar mass438.2 g/mol
IUPACsodium;2-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]phenolate;iron
SMILESC1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2[O-])C(=O)O)O.[Na+].[Fe]
InChIKeyTXJTUGACWVICPL-UHFFFAOYSA-M
logP (XLogP3)—
PSA142 Ų
HBD / HBA5 / 8
PubChem CIDCID 56846438 ↗
Scientific literature

Related literature

17 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 17)

1988: number of articles 219881998: number of articles 12004: number of articles 12005: number of articles 12006: number of articles 12007: number of articles 220072009: number of articles 12011: number of articles 12012: number of articles 12020: number of articles 12020

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Sodium ferric EDDHA · RefChem:887531 · 16455-61-1 · MFCD09752833 · AKOS015914147 · AKOS025311546 · F20618
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
Model
Sodium ferric EDDHA · 16455-61-1
InChIKey
TXJTUGACWVICPL-UHFFFAOYSA-M
License & provenance record
Sodium ferric EDDHA (CAS 16455-61-1) →
MolGod molecule record
Sodium ferric EDDHA →
Source data
PubChem CID 56846438 ↗
Model information
not published yet

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