| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-20 16:14:30 UTC |
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| Update Date | 2016-11-09 01:15:19 UTC |
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| Accession Number | CHEM016097 |
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| Identification |
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| Common Name | Iron sorbitol-citric acid complex |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Iron(3+) ion (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol 2-hydroxypropane-1,2,3-tricarboxylic acid | Generator | | Iron sorbitol | MeSH | | Iron sorbitol citric acid complex | MeSH | | Jectofer | MeSH | | Citric acid -iron -sorbitol | MeSH | | Citric acid, iron, sorbitol drug combination | MeSH | | Iron sorbitex | MeSH | | Yectofer | MeSH |
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| Chemical Formula | C12H19FeO13 |
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| Average Molecular Mass | 427.116 g/mol |
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| Monoisotopic Mass | 427.018 g/mol |
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| CAS Registry Number | 1338-16-5 |
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| IUPAC Name | iron(3+) ion (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol 2-hydroxypropane-1,2,3-tricarboxylate |
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| Traditional Name | iron(3+) ion D-sorbitol citrate |
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| SMILES | [Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO |
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| InChI Identifier | InChI=1S/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3/p-3/t;3-,4+,5-,6-;/m.1./s1 |
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| InChI Key | WNDUPUMWHYAJOR-SADXPQEKSA-K |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Sugar alcohol
- Monosaccharide
- Tertiary alcohol
- Secondary alcohol
- Carboxylic acid salt
- Organic transition metal salt
- Polyol
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 20715017 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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