Sulfotep
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sulfotep
- DrugBank Accession Number
- DB11497
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
- Weight
- Average: 322.31
Monoisotopic: 322.022740088 - Chemical Formula
- C8H20O5P2S2
- Synonyms
- Bis(O,O-diethylphosphorothionic) anhydride
- Dithion
- Dithiophos
- O,O,O,O-Tetraethyl dithiopyrophosphate
- Sulfotepp
- Sulphotepp
- TEDP
- TEDTP
- Tetraethyl dithiopyrophosphate
- Thiodiphosphate, tetraethyl ester
- External IDs
- Caswell No. 837
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 thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic thiophosphoric acids and derivatives
- Sub Class
- Thiophosphoric acid esters
- Direct Parent
- Thiophosphoric acid esters
- Alternative Parents
- Organooxygen compounds / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Thiophosphoric acid ester
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- organic thiophosphate, organothiophosphate insecticide (CHEBI:38945)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V41BK2EE8X
- CAS number
- 3689-24-5
- InChI Key
- XIUROWKZWPIAIB-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
- IUPAC Name
- O,O-diethyl {[diethoxy(sulfanylidene)-lambda5-phosphanyl]oxy}phosphonothioate
- SMILES
- CCOP(=S)(OCC)OP(=S)(OCC)OCC
References
- General References
- Not Available
- External Links
- ChemSpider
- 18280
- ChEBI
- 38945
- ChEMBL
- CHEMBL3182477
- ZINC
- ZINC000001693865
- Wikipedia
- Sulfotep
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 0.0288 mg/mL ALOGPS logP 4.43 ALOGPS logP 3.28 Chemaxon logS -4 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 46.15 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 78.43 m3·mol-1 Chemaxon Polarizability 30.34 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-00dl-0079000000-ad6408181e77ed8154e9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0009000000-b0eb44788d204ff0da2a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dl-0911000000-eb8347c028c1f672ee21 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05fr-0937000000-b3d44408e4a531b0d31a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0900000000-d9717b373b83d15b7749 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0159-0930000000-1e1d5f9935730ef0bbcb 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]- 176.0374159 predictedDarkChem Lite v0.1.0 [M-H]- 175.0153159 predictedDarkChem Lite v0.1.0 [M-H]- 153.55782 predictedDeepCCS 1.0 (2019) [M+H]+ 155.91582 predictedDeepCCS 1.0 (2019) [M+Na]+ 162.28534 predictedDeepCCS 1.0 (2019)
Drug created at February 26, 2016 17:23 / Updated at June 12, 2020 16:53