这种药物是一个条目stuband 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
-
Structure for Sulfotep (DB11497)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning models
with evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets. - Contraindications & Blackbox Warnings
-
Avoid life-threatening adverse drug eventsImprove clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support. - 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.Improve decision support & research outcomes with our structured adverse effects data. - Toxicity
-
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
-
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 byClassyfire
-
- 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关键
- 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
- 一般引用
- Not Available
- External Links
-
- ChemSpider
- 18280
- ChEBI
- 38945
- ChEMBL
- CHEMBL3182477
- ZINC
- ZINC000001693865
- Wikipedia
- Sulfotep
Clinical Trials
- Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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Phase Status Purpose Conditions Count
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 医学博士DR-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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at February 26, 2016 17:23 / Updated at June 12, 2020 16:53