Phenothrin
PubChem CID: 4767
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| Compound Synonyms | phenothrin, 26002-80-2, Sumithrin, Phenoxythrin, Phenothrine, Sumitrin, Pibutin, Anchimanaito 20S, Fenotrina, Wellcide, Duet, Solo (insecticide), Multicide 2154, S 2539 (pesticide), Fenotrina [Spanish], Phenothrinum, Phenothrine [French], Phenothrinum [Latin], Hegor antipoux, D-phenotrhin, Caswell No. 652B, 3-Phenoxybenzyl chrysanthemate, Phenothrin [INN:BAN], 188023-86-1, Phenothrin [ISO], Phenothrine [ISO-French], OMS 1809, OMS 1810, PT 515, Phonothrin, CCRIS 2502, Phenothrin [BSI:ISO], HSDB 3922, EINECS 247-404-5, Phenothrin (INN), S-2539, ENT 27 972, EPA Pesticide Chemical Code 069005, NSC-758668, S-2539F, (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,(3-phenoxyphenyl)methyl ester, DTXSID7032688, Hegor antipoux (TN), CHEBI:34916, AI3-29062, UNII-707484X33X, PHENOTHRIN [MI], PHENOTHRIN [INN], PHENOTHRIN [JAN], 3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-phenoxyphenyl)methyl ester, 3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate, PHENOTHRIN [HSDB], PHENOTHRIN [MART.], PHENOTHRIN [WHO-DD], 3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, m-Phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester, 3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester, 707484X33X, DTXCID00196513, 3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, 3-Phenoxybenzyl (1RS,3RS, 1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, Benzyl alcohol, m-phenoxy-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, m-phenoxybenzyl ester, Phenothrin 10 microg/mL in Isooctane, Phenothrinum (Latin), NSC 758668, NCGC00094561-01, Phenothrin (>85%), Phenothrine (ISO-French), S 2539, PHENOTHRIN (MART.), Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(phenoxyphenyl)methyl ester, cis,trans-(+/-)-, 2,2-Dimethyl-3-(2-methylpropenyl-1)cyclopropancarbonic acid, 3-phenoxybenzyl ester, 3-PHENOXYBENZYL 2,2-DIMETHYL-3-(2-METHYLPROPENYL)CYCLOPROPANECARBOXYLATE, Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methylpropen-1-yl), 3-phenoxybenzyl ester, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxy-phenyl)methyl ester, M-PHENOXYBENZYL (+/-)-CIS,TRANS-2,2-DIMETHYL-3-(2-METHYLPROPENYL)CYCLOPROPANECARBOXYLATE, CAS-26002-80-2, delta-(cis-trans)-Phenothrin, Forte, Full marks, SUMETHRIN, d-Phenthrin (trans), Phenothrin (Standard), Anvil (Mixture Name), Spectrum_001981, Phenothrin (>90%), SpecPlus_000796, 3-Phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate, Spectrum3_001204, Spectrum4_000583, Spectrum5_000644, (+)-trans,cis-Fenothrin, Phenoxybenzyl chrysanthemate, 3Phenoxybenzyl (1RS,3RS, (3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, 3Phenoxybenzyl chrysanthemate, SCHEMBL74649, BSPBio_002588, KBioGR_001046, KBioSS_002547, MLS004712075, Multicide Concentrate F2271, DivK1c_006892, SPECTRUM1504098, delta -(cis-trans)-Phenothrin, CHEMBL1322884, SCHEMBL24119149, HY-B1072R, KBio1_001836, KBio2_002538, KBio2_005106, KBio2_007674, KBio3_002088, P03AC03, m-Phenoxybenzyl (1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, HMS1922B17, Pharmakon1600-01504098, Phenoxybenzyl-d-Z/E-chrysanthemate, BCA18688, HY-B1072, Tox21_111297, Tox21_301570, CCG-38960, NSC758668, 3-Phenoxybenzyl D-Z/E chrysanthemate, AKOS015914551, Tox21_111297_1, CS-4628, DB13717, 3Phenoxybenzyl (+)cistranschrysanthemate, m-Phenoxybenzyl (+-)-cis,trans-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, USEPA/OPP Pesticide Code: 069005, NCGC00094561-02, NCGC00094561-03, NCGC00094561-04, NCGC00094561-06, NCGC00255299-01, (3-phenoxyphenyl)methyl cis,trans-(+)-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, AS-76801, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(phenoxyphenyl)methyl ester, SMR001563205, 3-Phenoxybenzyl-d-cis.trans-chrysanthemate, SBI-0051922.P002, 3Phenoxybenzyl (1RS)cis,transchrysanthemate, DB-046812, DB-046822, Phenoxybenzyl (1R)-cis/trans chrysanthemate, NS00099457, SW220054-1, (+/-)-phenoxybenzyl-cis,trans-chrysanthemate, Phenothrin, PESTANAL(R), analytical standard, 3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate, 3-PHENOXYBENZYL CIS,TRANS-CHRYSANTHEMATE, A12354, D08357, AB00052445_02, AB00052445_03, Q999813, SR-01000872757, SR-01000872757-1, BRD-A22106989-001-01-9, BRD-A22106989-001-02-7, BRD-A22106989-001-05-0, BRD-A22106989-001-06-8, 1RS,3SR)2,2dimethyl3(2methylprop1enyl)cyclopropanecarboxylate, 3Phenoxybenzyl 2,2dimethyl3(2methylprop1enyl)cyclopropanecarboxylate, mPhenoxybenzyl 2,2dimethyl3(2methylpropenyl)cyclopropanecarboxylate, (3Phenoxyphenyl)methyl 2,2dimethyl3(2methyl1propenyl)cyclopropanecarboxylate, (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, 2,2Dimethyl3(2methyl1propenyl)cyclopropanecarboxylic acid (3phenoxyphenyl)methyl ester, 2,2Dimethyl3(2methylpropenyl)cyclopropanecarboxylic acid mphenoxybenzyl ester, 3-Phenoxybenzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate #, 3-phenoxyphenylmethyl 2,2-dimethyl- 3-(2-methyl-1-propenyl)cyclopropanecarboxylate, 3Phenoxybenzyl (1RS)cis,trans2,2dimethyl3(2methylprop1enyl)cyclopropanecarboxylate, (3-PHENOXYPHENYL)METHYL 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANE-CARBOXYLATE, 247-404-5, 3-phenoxybenzyl (1RS, 3RS, 1RS, 3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropanecarboxylate., Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, m-phenoxybenzyl ester, (+)-(Z,E)- |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Description | Fenugrin a, also known as sumithrin or phenothrin, (1s-cis)-isomer, is a member of the class of compounds known as pyrethroids. Pyrethroids are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group. Fenugrin a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fenugrin a can be found in fenugreek, which makes fenugrin a a potential biomarker for the consumption of this food product. Fenugrin a is a non-carcinogenic (not listed by IARC) potentially toxic compound. Following oral exposure, the treatment is symptomatic and supportive and includes monitoring for the development of hypersensitivity reactions with respiratory distress. Provide adequate airway management when needed. Gastric decontamination is usually not required unless the pyrethrin product is combined with a hydrocarbon. Following inhalation exposure, move patient to fresh air. monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. If the contamination occurs through dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Vitamin E topical application is highly effective in relieving parenthesis (L363) (T3DB). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, Q13951, O94782, Q9NPD5, Q9Y6L6, n.a., P10275, P19838 |
| Iupac Name | (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT50 |
| Xlogp | 6.2 |
| Molecular Formula | C23H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBNFWQZLDJGRLK-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -6.792 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.875 |
| Compound Name | Phenothrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.823578061538462 |
| Inchi | InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3 |
| Smiles | CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eugenia Bracteata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Eugenia Caryopyhllata (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eugenia Cuspidate (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Eugenia Edulis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Eugenia Exsucca (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Eugenia Jambolana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Eugenia Myrcianthes (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Eugenia Sandwicensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Eugenia Uniflora (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all