Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 02:43:27 UTC |
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Update Date | 2016-11-09 01:13:46 UTC |
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Accession Number | CHEM008310 |
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Identification |
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Common Name | Furilazole |
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Class | Small Molecule |
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Description | Herbicide safener for gramineous crops |
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Contaminant Sources | - FooDB Chemicals
- My Exposome Chemicals
- STOFF IDENT Compounds
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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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(RS)-3-Dichloroacetyl-5-(2-furanyl)-2,2-dimethyloxazolidine | HMDB | 3-(Dichloroacetyl)-5-(2-furanyl)-2,2-dimethyl-oxazolidine | HMDB | 3-(Dichloroacetyl)-5-(2-furanyl)-2,2-dimethyloxazolidine | HMDB | Furilazole | HMDB | Nanogen index code fua (3-010) | HMDB |
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Chemical Formula | C11H13Cl2NO3 |
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Average Molecular Mass | 278.132 g/mol |
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Monoisotopic Mass | 277.027 g/mol |
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CAS Registry Number | 121776-33-8 |
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IUPAC Name | 2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethan-1-one |
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Traditional Name | furilazole |
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SMILES | CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1 |
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InChI Identifier | InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3 |
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InChI Key | MCNOFYBITGAAGM-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as oxazolidines. Oxazolidines are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Azolidines |
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Sub Class | Oxazolidines |
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Direct Parent | Oxazolidines |
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Alternative Parents | |
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Substituents | - Furan
- Oxazolidine
- Tertiary carboxylic acid amide
- Heteroaromatic compound
- Carboxamide group
- Carboxylic acid derivative
- Azacycle
- Oxacycle
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Organic oxygen compound
- Alkyl chloride
- Organic nitrogen compound
- Carbonyl group
- Alkyl halide
- Hydrocarbon derivative
- 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9300000000-4dc6b21a3ebe3fcb6a5e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0790000000-aa5d31e586425d4c2c34 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-02di-0950000000-0765e1ceda3c00d9a375 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-1900000000-22d6bf55beebeca7590f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0190000000-29f7d5df12e5cf7eb0ad | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-015c-5930000000-4803f70f2c7793a3d0a4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a5i-9800000000-5b4cb7acc08e877b3ee4 | 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 | HMDB0037131 |
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FooDB ID | FDB016125 |
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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 | 77743 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 86187 |
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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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