| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:30:45 UTC |
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| Update Date | 2016-11-09 01:09:15 UTC |
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| Accession Number | CHEM003962 |
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| Identification |
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| Common Name | Diisopropylfluorophosphate |
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| Class | Small Molecule |
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| Description | An irreversible cholinesterase inhibitor with actions similar to those of echothiophate. It is a powerful miotic used mainly in the treatment of glaucoma. Its vapor is highly toxic and it is recommended that only solutions in arachis oil be used therapeutically. (From Martindale, The Extra Pharmacopoeia, 29th ed, p1330) |
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| Contaminant Sources | - Clean Air Act Chemicals
- HMDB Contaminants - Urine
- 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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| DFP | ChEBI | | Diisopropoxyphosphoryl fluoride | ChEBI | | Diisopropyl fluorophosphonate | ChEBI | | Diisopropyl phosphofluoridate | ChEBI | | Diisopropyl phosphorofluoridate | ChEBI | | Diisopropylfluorophosphate | ChEBI | | Diisopropylfluorophosphoric acid ester | ChEBI | | Diisopropylphosphorofluoridate | ChEBI | | Fluorodiisopropyl phosphate | ChEBI | | Isofluorphate | ChEBI | | Isoflurophosphate | ChEBI | | Isopropyl fluophosphate | ChEBI | | Isopropyl phosphorofluoridate | ChEBI | | Neoglaucit | ChEBI | | O,O'-diisopropyl phosphoryl fluoride | ChEBI | | Diisopropyl fluorophosphate | Kegg | | Fluostigmine | Kegg | | Floropryl | Kegg | | Diisopropyl fluorophosphonic acid | Generator | | Diisopropyl phosphofluoridic acid | Generator | | Diisopropyl phosphorofluoridic acid | Generator | | Diisopropylfluorophosphoric acid | Generator | | Diisopropylfluorophosphate ester | Generator | | Diisopropylphosphorofluoridic acid | Generator | | Fluorodiisopropyl phosphoric acid | Generator | | Isofluorphic acid | Generator | | Isoflurophosphoric acid | Generator | | Isopropyl fluophosphoric acid | Generator | | Isopropyl phosphorofluoridic acid | Generator | | Diisopropyl fluorophosphoric acid | Generator | | Isoflurophic acid | Generator | | Diflupyl | HMDB | | Diflurophate | HMDB | | Di isopropylphosphorofluoridate | HMDB | | Merck brand OF isoflurophate | HMDB | | Diisopropylphosphofluoridate | HMDB | | Fluorostigmine | HMDB | | Di-isopropylphosphorofluoridate | HMDB | | Dyflos | HMDB | | Bis(1-methylethyl) phosphorofluoridate | HMDB | | Isoflurophate | ChEBI |
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| Chemical Formula | C6H14FO3P |
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| Average Molecular Mass | 184.146 g/mol |
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| Monoisotopic Mass | 184.066 g/mol |
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| CAS Registry Number | 55-91-4 |
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| IUPAC Name | bis(propan-2-yl) fluorophosphonate |
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| Traditional Name | isoflurophate |
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| SMILES | CC(C)OP(F)(=O)OC(C)C |
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| InChI Identifier | InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 |
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| InChI Key | MUCZHBLJLSDCSD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic phosphoric acids and derivatives |
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| Sub Class | Phosphate esters |
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| Direct Parent | Phosphate esters |
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| Alternative Parents | |
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| Substituents | - Phosphoric acid ester
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | 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 | |
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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 | DB00677 |
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| HMDB ID | HMDB0014815 |
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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 | Isoflurophate |
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| Chemspider ID | 5723 |
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| ChEBI ID | 17941 |
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| PubChem Compound ID | 5936 |
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| Kegg Compound ID | C00202 |
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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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