| Record Information |
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| Version | 1.0 |
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| Creation Date | 2014-08-29 06:51:43 UTC |
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| Update Date | 2016-11-09 01:09:09 UTC |
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| Accession Number | CHEM003464 |
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| Identification |
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| Common Name | Famoxadone |
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| Class | Small Molecule |
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| Description | Famoxadone is a oxazolidinedione fungicide to protect agricultural products against various fungal diseases including downy mildew and blights on fruiting vegetables, tomatoes, potatoes, curcurbits, lettuce and grapes. It is used in combination with cymoxanil. It has a low aqueous solubility, low risk of leaching to groundwater and is non-volatile. It is not persistent in soil or water. Whilst it has a low mammalian toxicity there is a slight concern regarding its ability to bioaccumulate. It is considered to be a neurotoxicant and is a known eye and skin irritant. It is highly toxic to fish and aquatic invertebrates and moderately toxic to other aquatic organisms, earthworms and honeybees. |
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| Contaminant Sources | - HPV EPA Chemicals
- My Exposome Chemicals
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amide
- Amine
- Ester
- Ether
- Fungicide
- Lachrymator
- Organic Compound
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| DPX-JE874 | MeSH | | Famoxadon | MeSH | | Famoxate | MeSH | | DPX JE874 | MeSH | | 5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione | MeSH |
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| Chemical Formula | C22H18N2O4 |
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| Average Molecular Mass | 374.389 g/mol |
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| Monoisotopic Mass | 374.127 g/mol |
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| CAS Registry Number | 131807-57-3 |
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| IUPAC Name | 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione |
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| Traditional Name | famoxadone |
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| SMILES | CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 |
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| InChI Identifier | InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 |
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| InChI Key | PCCSBWNGDMYFCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Diphenylethers |
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| Direct Parent | Diphenylethers |
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| Alternative Parents | |
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| Substituents | - Diphenylether
- Diaryl ether
- Phenoxy compound
- Phenol ether
- Phenylhydrazine
- Oxazolidinedione
- Oxazolidinone
- Dicarboximide
- Oxazolidine
- Carboxylic acid hydrazide
- Carbonic acid derivative
- Carboxylic acid derivative
- Ether
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organonitrogen compound
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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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 | |
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| Biological Roles | |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-1029000000-b85d96bd8eb16f1e11f4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0229-3279000000-3dfc69f157c028ee3c4d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9400000000-b8226a2342b239d6a5aa | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0019000000-5a809178298cb095a5be | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-1291000000-40bb1145886619cb2ea6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ufs-4930000000-7c6f1e83faa38f541676 | Spectrum |
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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) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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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 | Famoxadone |
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| Chemspider ID | Not Available |
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| ChEBI ID | 83250 |
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| PubChem Compound ID | 213032 |
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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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