Spirotetramat
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Basic Info
| Common Name | Spirotetramat(F06031) |
| 2D Structure | |
| FRCD ID | F06031 |
| CAS Number | 203313-25-1 |
| PubChem CID | 9969573 |
| Formula | C21H27NO5 |
| IUPAC Name | [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate |
| InChI Key | CLSVJBIHYWPGQY-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23) |
| Canonical SMILES | CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C |
| Isomeric SMILES | CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C |
| Synonyms |
Spirotetramat
203313-25-1
Movento
Ultor
UNII-4G7KR034OX
(5s,8s)-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate
4G7KR034OX
CHEBI:81975
cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate
Spirotetramat [ISO]
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Xylenes |
| Alternative Parents | |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | P-xylene - Carbonic acid diester - Enol ester - Cyclic carboximidic acid - Carbonic acid derivative - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 373.449 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Complexity | 606 |
| Monoisotopic Mass | 373.189 |
| Exact Mass | 373.189 |
| XLogP | 3.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| 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- | 0.5213 |
| Human Intestinal Absorption | HIA+ | 1.0000 |
| Caco-2 Permeability | Caco2- | 0.5391 |
| P-glycoprotein Substrate | Substrate | 0.7234 |
| P-glycoprotein Inhibitor | Inhibitor | 0.7321 |
| Non-inhibitor | 0.5150 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8001 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.8144 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8534 |
| CYP450 2D6 Substrate | Non-substrate | 0.8246 |
| CYP450 3A4 Substrate | Substrate | 0.7443 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.5602 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.5979 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9003 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.5203 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.5107 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.6629 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9410 |
| Non-inhibitor | 0.6595 | |
| AMES Toxicity | Non AMES toxic | 0.6418 |
| Carcinogens | Non-carcinogens | 0.9164 |
| Fish Toxicity | High FHMT | 0.9775 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9989 |
| Honey Bee Toxicity | High HBT | 0.5529 |
| Biodegradation | Not ready biodegradable | 0.7999 |
| Acute Oral Toxicity | III | 0.5818 |
| Carcinogenicity (Three-class) | Non-required | 0.6173 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -4.1182 | LogS |
| Caco-2 Permeability | 1.1571 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.7595 | LD50, mol/kg |
| Fish Toxicity | 0.5450 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.7402 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Pine nut kernels (Pine nut kernels from other species than Pinus pinea, Pine nut kernels from other species than Pinus pinea, Pine nut kernels from other species than Pinus pinea, Pine nut kernels ... | 0120090 | European Union | 0.5 | 11/07/2017 | |
| Prickly pears/cactus fruits (Pitayas/dragon fruits, Red pitayas, Saguaro fruits, Yellow pitayas,) | 0162040 | European Union | 0.1* | 11/07/2017 | |
| Horseradishes (Dandelion roots, Gentiana roots, East Indian galangal/aromatic ginger/sand galangal, Fingerroot, Galangal roots, Galangal roots, Galangal roots, Galangal roots, Ginger roots, Greater... | 0213040 | European Union | 0.1 | 11/07/2017 | |
| Cresses and other sprouts and shoots (Alfalfa/lucerne sprouts, Chinese chives/oriental garlic/garlic chives sprouts, Broccoli sprouts, Daikon/Japanese radish sprouts, Ginger shoots, Mung bean sprou... | 0251040 | European Union | 7 | 11/07/2017 | |
| Beans (with pods) (Azuki beans, Black eyed peas/cowpeas, Broad beans/fava beans/horse beans/tic beans, Borlotti beans/cannelini beans/common beans/flageolets/French beans/slicing beans/snap beans, ... | 0260010 | European Union | 1.5 | 11/07/2017 | |
| Edible offals (other than liver and kidney) | 1016050 | European Union | 0.01* | 11/07/2017 | |
| Amphibians and Reptiles (Crocodiles, Frog legs, Snakes, Turtles, Other Amphibians and Reptiles, Other frog legs from frogs not belonging to the genus Rana,) | 1050000 | European Union | 0.01* | 11/07/2017 | |
| Macadamias | 0120070 | European Union | 0.5 | 11/07/2017 | |
| Citrus fruits | 0110000 | European Union | 1 | 11/07/2017 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 1 | 11/07/2017 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 1 | 11/07/2017 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 1 | 11/07/2017 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 1 | 11/07/2017 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 1 | 11/07/2017 | |
| Others (2) | 0110990 | European Union | 1 | 11/07/2017 | |
| Tree nuts | 0120000 | European Union | 0.5 | 11/07/2017 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.5 | 11/07/2017 | |
| Brazil nuts | 0120020 | European Union | 0.5 | 11/07/2017 | |
| Cashew nuts | 0120030 | European Union | 0.5 | 11/07/2017 | |
| Chestnuts | 0120040 | European Union | 0.5 | 11/07/2017 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Biochemical and histological alterations in adult zebrafish（Danio rerio）ovary following exposure to the tetronic acid insecticide spirotetramat. | Ecotoxicol Environ Saf | 2018 Nov 30 | 30107324 |
| Does multigenerational exposure to hormetic concentrations of imidacloprid precondition aphids for increased insecticide tolerance? | Pest Manag Sci | 2018 Feb | 28905473 |
| Effects of spirotetramat on the acute toxicity, oxidative stress, and lipid peroxidation in Chinese toad (Bufo bufo gargarizans) tadpoles. | Environ Toxicol Pharmacol | 2014 May | 24835551 |
| Effect of new and old pesticides on Orius armatus (Gross) - an Australian predator of western flower thrips, Frankliniella occidentalis (Pergande). | Pest Manag Sci | 2014 Mar | 23616278 |
| Laboratory-based toxicological assessments of new insecticides on mortality and fecundity of Neoseiulus fallacis (Acari: Phytoseiidae). | J Econ Entomol | 2012 Jun | 22812123 |
| A laboratory assessment of the toxic attributes of six 'reduced risk insecticides' on Galendromus occidentalis (Acari: Phytoseiidae). | Chemosphere | 2011 Jun | 21458842 |