| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:36:26 UTC |
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| Update Date | 2016-11-09 01:13:43 UTC |
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| Accession Number | CHEM008043 |
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| Identification |
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| Common Name | Methfuroxam |
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| Class | Small Molecule |
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| Description | A secondary carboxamide resulting from the formal condensation of the carboxylic acid group of 2,4,5-trimethyl-3-furoic acid with the amino group of aniline. An obsolete fungicide formerly used to control Basidiomycetes pathogens on cereal crops. |
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| Contaminant Sources | - My Exposome Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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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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| 2,4,5-Trimethyl-3-furanilide | ChEBI | | 2,4,5-Trimethyl-N-phenyl-3-furancarboxamide | ChEBI | | Methfuroxame | ChEBI | | Methfuroxan | MeSH | | Methfuroxam | MeSH |
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| Chemical Formula | C14H15NO2 |
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| Average Molecular Mass | 229.279 g/mol |
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| Monoisotopic Mass | 229.110 g/mol |
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| CAS Registry Number | 28730-17-8 |
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| IUPAC Name | 2,4,5-trimethyl-N-phenylfuran-3-carboximidic acid |
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| Traditional Name | 2,4,5-trimethyl-N-phenylfuran-3-carboximidic acid |
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| SMILES | CC1=C(C)C(C(O)=NC2=CC=CC=C2)=C(C)O1 |
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| InChI Identifier | InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16) |
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| InChI Key | ZWJNEYVWPYIKMB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 3-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 3-position with an anilide. |
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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 | Anilides |
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| Direct Parent | 3-furanilides |
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| Alternative Parents | |
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| Substituents | - 3-furanilide
- Furoic acid or derivatives
- Furan-3-carboxylic acid or derivatives
- Furan
- Heteroaromatic compound
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Organoheterocyclic compound
- Oxacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-2190000000-9eb7a6407587001c4326 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000l-5940000000-0497c353150bf792e5cb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fr6-9200000000-ebef542dfa2efd4f3344 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0290000000-dc090566e01a9fbd4ce9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0900000000-73e2a9e1e02667eabcc5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9300000000-60ab9a212a5454363b68 | 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) | 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 | 142825 |
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| PubChem Compound ID | 34313 |
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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 | |
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