Ronnel
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ronnel
- DrugBank Accession Number
- DB11456
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
- Weight
- Average: 321.53
Monoisotopic: 319.8997354 - Chemical Formula
- C8H8Cl3O3PS
- Synonyms
- Fenchlorphos
- Fenclofos
- Fenclofosum
- Ronnel
- External IDs
- ENT 23,284
- ENT-23284
- NSC-8926
- OMS-123
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic thiophosphoric acids and derivatives
- Sub Class
- Thiophosphoric acid esters
- Direct Parent
- Phenyl thiophosphates
- Alternative Parents
- Thiophosphate triesters / Phenoxy compounds / Chlorobenzenes / Aryl chlorides / Organooxygen compounds / Organochlorides / Hydrocarbon derivatives
- Substituents
- Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Benzenoid / Chlorobenzene / Halobenzene / Hydrocarbon derivative / Monocyclic benzene moiety / Organic oxygen compound / Organochloride
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- organic thiophosphate (CHEBI:82125) / Organophosphorus insecticides (C18986)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 89RAG7SB3B
- CAS number
- 299-84-3
- InChI Key
- JHJOOSLFWRRSGU-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
- IUPAC Name
- O,O-dimethyl O-2,4,5-trichlorophenyl phosphorothioate
- SMILES
- COP(=S)(OC)OC1=CC(Cl)=C(Cl)C=C1Cl
References
- General References
- Balthrop JE: Ronnel in creeping eruption. J Fla Med Assoc. 1966 Sep;53(9):820-1. [Article]
- Crookshank HR, Smalley HE: Ronnel residues in adult sheep. J Agric Food Chem. 1970 Mar-Apr;18(2):326. [Article]
- DORNEY RS, TODD AC: Ronnel (trolene) as an anthelmintic in lambs. J Am Vet Med Assoc. 1959 Sep 15;135:336-8. [Article]
- Smith CT, Shaw FR, Anderson DL, Callahan RA, Ziener WH: Ronnel residues in eggs of poultry. J Econ Entomol. 1965 Dec;58(6):1160-1. [Article]
- Febles Vizcarrondo F, Ramos Morales F: Evaluation of Ronnel in schistosomiasis mansoni. Bol Asoc Med P R. 1966 Oct;58(10):500-4. [Article]
- Worden AN, Noel PR, Mawdesley-Thomas LE: Effect of ronnel after chronic feeding to dogs. Toxicol Appl Pharmacol. 1972 Sep;23(1):1-9. [Article]
- Wright FC: Method to determin ronnel and its oxygen analog in eggs. J Agric Food Chem. 1975 Jul-Aug;23(4):820-1. [Article]
- Baughman RG, Jacobson RA: Crystal and molecular structure of organophosphorus insecticides. I. ronnel. J Agric Food Chem. 1975 Jul-Aug;23(4):811-5. [Article]
- Gehrt AJ: Methods for determining ronnel in feeds and mineral mixtures. J Assoc Off Anal Chem. 1972 Jul;55(4):710-3. [Article]
- Rumsey TS, Tao H, Bitman J: Effects of ronnel on growth, endocrine function and blood measurements in steers and rats. J Anim Sci. 1981 Jul;53(1):217-25. [Article]
- External Links
- KEGG Drug
- D05753
- KEGG Compound
- C18986
- ChemSpider
- 8939
- ChEBI
- 82125
- ChEMBL
- CHEMBL1871418
- ZINC
- ZINC000000002040
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000927 mg/mL ALOGPS logP 4.88 ALOGPS logP 4.47 Chemaxon logS -5.5 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 27.69 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 70.28 m3·mol-1 Chemaxon Polarizability 26.74 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0309000000-a704d398a6c25fa84bad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-e4a4ff0f9f741f46085f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-c2659069b757b5b9c9c0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0920000000-e5220781b5095f5a30c2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0911000000-99802be2e51392efcb5e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1900000000-baf0fd0194f6b315a30e Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 150.467055 predictedDarkChem Lite v0.1.0 [M-H]- 157.00471 predictedDeepCCS 1.0 (2019) [M+H]+ 159.36272 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.45595 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 18:54 / Updated at February 21, 2021 18:53