Famphur
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Basic Info
| Common Name | Famphur(F05708) |
| 2D Structure | |
| FRCD ID | F05708 |
| CAS Number | |
| PubChem CID | 5859 |
| Formula | C10H16NO5PS2 |
| IUPAC Name | 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide |
| InChI Key | JISACBWYRJHSMG-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3 |
| Canonical SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC |
| Isomeric SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC |
| Synonyms |
Dovip
Famphur
FAMOPHOS
Warbex
Warbexol
Famfur
Famofos
Famphos
Fanfos
Famophos warbex
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organic acids and derivatives |
| Class | Organic thiophosphoric acids and derivatives |
| Subclass | Thiophosphoric acid esters |
| Intermediate Tree Nodes | Aryl thiophosphates |
| Direct Parent | Phenyl thiophosphates |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl thiophosphate - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Thiophosphate triester - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 325.334 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Complexity | 418 |
| Monoisotopic Mass | 325.021 |
| Exact Mass | 325.021 |
| XLogP | 2.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.8969 |
| Human Intestinal Absorption | HIA+ | 0.9974 |
| Caco-2 Permeability | Caco2- | 0.5676 |
| P-glycoprotein Substrate | Non-substrate | 0.8387 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.5944 |
| Non-inhibitor | 0.9215 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8908 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.5243 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.6511 |
| CYP450 2D6 Substrate | Non-substrate | 0.7924 |
| CYP450 3A4 Substrate | Substrate | 0.5090 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6100 |
| CYP450 2C9 Inhibitor | Inhibitor | 0.5818 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9356 |
| CYP450 2C19 Inhibitor | Inhibitor | 0.7019 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.7267 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.6521 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.8649 |
| Non-inhibitor | 0.8146 | |
| AMES Toxicity | Non AMES toxic | 0.6332 |
| Carcinogens | Non-carcinogens | 0.5383 |
| Fish Toxicity | High FHMT | 0.8969 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.7252 |
| Honey Bee Toxicity | High HBT | 0.8351 |
| Biodegradation | Not ready biodegradable | 0.8702 |
| Acute Oral Toxicity | I | 0.7867 |
| Carcinogenicity (Three-class) | Non-required | 0.6153 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -3.1089 | LogS |
| Caco-2 Permeability | 0.7331 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 4.0338 | LD50, mol/kg |
| Fish Toxicity | 1.4522 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.0334 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Fat Of Cattle | United States | 0.1ppm | |||
| Meat Of Cattle | United States | 0.1ppm | |||
| Honey | Japan | 0.02ppm | |||
| Other Aquatic Animal | Japan | 0.02ppm | |||
| Crustaceans | Japan | 0.02ppm | |||
| Shelled Molluscas | Japan | 0.02ppm | |||
| Other Fish | Japan | 0.02ppm | |||
| Perciformes | Japan | 0.02ppm | |||
| Anguilliformes | Japan | 0.02ppm | |||
| Salmoniformes | Japan | 0.02ppm | |||
| Other Poultry,Eggs | Japan | 0.02ppm | |||
| Chicken,Eggs | Japan | 0.02ppm | |||
| Other Poultry Animals,Edible Offal | Japan | 0.1ppm | |||
| Chicken,Edible Offal | Japan | 0.1ppm | |||
| Other Poultry Animals,Kidney | Japan | 0.1ppm | |||
| Chicken,Kidney | Japan | 0.1ppm | |||
| Other Poultry Animals,Liver | Japan | 0.1ppm | |||
| Chicken,Liver | Japan | 0.1ppm | |||
| Other Poultry Animals,Fat | Japan | 0.1ppm | |||
| Chicken,Fat | Japan | 0.1ppm |