Ferric maltol CAS#: 33725-54-1; ChemWhat Code: 398340
Identification
| Product Name | Ferric maltol |
| IUPAC Name | iron(3+);2-methyl-4-oxopyran-3-olate |
| Molecular Structure |  |
| CAS Registry Number | 33725-54-1 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | 4H-Pyran-4-one, 3-hydroxy-2-methyl-, iron(3+) salt; Eisen(3+)tris(2-methyl-4-oxo-4H-pyran-3-olat);ferric maltol;Iron(3+) tris(2-methyl-4-oxo-4H-pyran-3-olate);Tris(2-méthyl-4-oxo-4H-pyran-3-olate) de fer(3+) ;Tris[3-(hydroxy-κO)-2-methyl-4H-pyran-4-onato-κO4]iron;2-methyl-4-oxopyran-3-olate;ferric 2-methyl-4-oxo-3-pyranolate |
| Molecular Formula | C18H15FeO9 |
| Molecular Weight | 431.151 |
| InChI | InChI=1S/3C6H6O3.Fe/c31-4-6(8)5(7)2-3-9-4;/h32-3,8H,1H3;/q;;;+3/p-3 |
| InChI Key | AHPWLYJHTFAWKI-UHFFFAOYSA-K |
| Canonical SMILES | Cc1c(c(=O)cco1)[O-].Cc1c(c(=O)cco1)[O-].Cc1c(c(=O)cco1)[O-].[Fe+3] |
| Patent Information |
| No data available |
Physical Data
| Appearance | Wine red solid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Density, g·cm-3 | Type (Density) |
| 1.36 | crystallographic |
| Comment (Solubility (MCS)) |
| sol. in alcohols and alcohol-water mixt.; sparingly sol. in water |
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands | not given | 1500 cm**-1 – 1600 cm**-1 |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Spectrum | ||
| H2O, NaOH | 340 nm – 600 nm |
| Description (Luminescence Spectroscopy) |
| X-ray emission spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: iron(III) chloride hexahydrate With sodium hydroxide In water Stage #2: Maltol With L-lysine In water Reagent/catalyst; | |
| With sodium hydroxide In water at 55℃; for 0.5h; | 1.7g |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 431.159 |
| HBA | 9 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 55.38 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Ferric maltol CAS#: 33725-54-1 is an orally active complex of a single iron ion (Fe3+). |
| Ferric maltol CAS#: 33725-54-1 is used in the study of iron deficiency anemia in inflammatory bowel disease. |
| Crohn & apos’s disease |
| Pharmaceuticals |
| ulcerative colitis |
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Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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