Registration Dossier
Registration Dossier
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EC number: 219-045-4 | CAS number: 2338-05-8
Reference substances
- IUPAC name:
- iron citrate
Inventory
- EC number:
- 219-045-4
- EC name:
- Iron citrate
- CAS number:
- 2338-05-8
- CAS number:
- 2338-05-8
Synonyms
- Names:
- Identifier:
- EC number
- 249-117-0 (iron citrate hydrate) CAS 207399-12-0
- Identifier:
- IUPAC name
- iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate; Iron(III) citrate hydrate
- Identifier:
- other: SMILES notation
- C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
- Identifier:
- other: Molecular formula
- C6H5FeO7.H2O
- 2-Hydroxypropane-1,2,3-tricarboxylate; iron(+3) cation
Molecular and structural information
- Molecular formula:
- C6H8O7.xFe
- Molecular weight:
- ca. 271.8
- SMILES notation:
- C(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
- InChl:
- InChI=1/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3
AuxInfo=1/1/N:2,3,6,7,4,1,10,11,12,13,8,9,5;14/E:(1,2)(3,4)(7,8,9,10)(11,12);/gE:(1,2);/rA:14nCCCCOCCOO-OO-OO-Fe+3/rB:s1;s1;s1;s1;s2;s3;d4;s4;d6;s6;d7;s7;;/rC:-.2931,.1793,0;-1.0034,.5862,0;.4207,.5931,0;-.2966,-.6448,0;-.2966,1.0034,0;-1.7172,.1759,0;1.1345,.1828,0;.4172,-1.0621,0;-1.0138,-1.0552,0;-1.7138,-.6483,0;-2.431,.5862,0;1.8414,.5966,0;1.1345,-.6379,0;3.8138,.1448,0; - Structural formula:
Related substances
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