Compound: Tebufenozide
SMILES: O=C(N(NC(=O)c1ccc(CC)cc1)C(C)(C)C)c2cc(cc(c2)C)C
InChIKey: QYPNKSZPJQQLRK-UHFFFAOYSA-N
Synonyms: Tebufenozide, 112410-23-8, N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, Confirm, RH-5992, Mimic, TNN5MI5EKF, N'-(t-Butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine, 3,5-Dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide, DTXSID4034948, CHEBI:38452, DTXCID2014948, RH5992, RefChem:187654, 412-850-3, 601-185-6, Tebufenozide [ISO], MFCD00467963, Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide, 142583-69-5, N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl-benzohydrazide, N-(tert-butyl)-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, HSDB 7050, UNII-TNN5MI5EKF, Tebufenozide (Standard), TEBUFENOZIDE [MI], EC 412-850-3, TEBUFENOZIDE [HSDB], SCHEMBL64845, CHEMBL226968, orb1306858, orb3025047, HY-B2054R, GLXC-07885, HY-B2054, MSK20416, Tox21_300685, 3,5-Dimethylbenzoic Acid N-tert-Butyl-N-(4-ethylbenzoyl)hydrazide, BDBM50178988, Tebufenozide 100 Axg/mL in Acetone, 3,5-Dimethyl-1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide Benzoic Acid, AKOS015907787, FT28017, KS-5034, Tebufenozide 100 microg/mL in Acetone, Tebufenozide 10 Axg/mL in Acetonitrile, NCGC00142339-01, NCGC00142339-02, NCGC00142339-03, NCGC00142339-04, NCGC00254593-01, AC-12582, ST069559, SY464662, Tebufenozide 10 microg/mL in Acetonitrile, DB-041089, CAS-112410-23-8, CS-0014147, NS00007887, C18526, F21406, Tebufenozide, PESTANAL(R), analytical standard, Q7692088, 1-tert-Butyl-1-(3,5-dimethylbenzoyl)-2-(4-ethylbenzoyl)h  ydrazine, 3,5-DIMETHYLBENZOIC ACID 1-(1,1-DIMETHYLETHYL)-2-(4-ETHYLBENZOYL)HYDRAZINE, N-(tert-butyl)(3,5-dimethylphenyl)-N-[(4-ethylphenyl)carbonylamino]carboxamide, N-(tert-Butyl)-N inverted exclamation mark -(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
Theoretical properties:
molecular_formula: C22H28N2O2
molecular_weight: 352.5 g/mol
exact_mass: 352.215078140 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 26
topological_polar_surface_area: 49.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Off-white powder
color: Off-white powder
melting_point: 191 °C
density: 1.03 (20 °C, pycrometer method)
solubility: Slightly soluble in organic solvents
vapor_pressure: 0.00000002 [mmHg]
Descriptions:
{"pubchem": "Tebufenozide is a carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars. It has a role as a xenobiotic, an ecdysone agonist and an environmental contaminant. It is functionally related to a N'-benzoyl-N-(tert-butyl)benzohydrazide.", "chebi": "A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by <em>tert</em>-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars.", "chembl": "TEBUFENOZIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Tebufenozide is an insecticide that acts as a molting hormone.  It is an agonist of the ecdysone receptor that causes premature molting in larvae.  It is primarily used against caterpillar pests. It belongs to the class of diacylhydrazines.\nBecause it has high selectivity for the targeted pests and low toxicity otherwise, the company that discovered tebufenozide, Rohm and Haas, was given a Presidential Green Chemistry Award for its development.\nIts environmental half-life varies according to where it is released and under what conditions, but can be said to be on the order of months.\nIt is used as an insect growth regulator, to control leaf-eating insects that cause damage or death in trees. Tebufenozide is the active ingredient in\" Bayer's MIMIC formulation, which controls forest defoliator pests such as gypsy moths, tent caterpillars, budworms, tussock moths and cabbage looper. These are all pests of the order Lepidoptera.\nIt has been used against the sugarcane borer, although the population grows immunity.\nIn California, the substance was used chiefly for crops of head lettuce, celery, raspberries, cauliflower, and tomatoes for processing.\nA 1994 study conducted by the Canadian Forest Service in laboratory conditions concluded that the substance was very stable in acidic and neutral buffers at 20 \u00b0C, hydrolytic degradation was dependent on pH and temperature, sunlight photodegradation was observed at a slower rate than ultraviolet photodegradation, and that microbial metabolism and photolysis are the two main degradative routes for tebufenozide in natural aquatic systems.\nThe final degradation products of tebufenozide are various alcohols, carboxylic acids and ketones of low toxicity."}