Triclofos
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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
- Triclofos
- DrugBank Accession Number
- DB06753
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved, Withdrawn
- Structure
- Weight
- Average: 229.37
Monoisotopic: 227.8912787 - Chemical Formula
- C2H4Cl3O4P
- Synonyms
- Triclofos
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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Triclofos is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Triclofos. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Triclofos. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Triclofos. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Triclofos. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Triclofos sodium 9F90KA5Q8U 7246-20-0 WFKJEZKHPGDCRK-UHFFFAOYSA-M
Categories
- ATC Codes
- N05CM07 — Triclofos
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic phosphoric acids and derivatives
- Sub Class
- Phosphate esters
- Direct Parent
- Monoalkyl phosphates
- Alternative Parents
- Organooxygen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives / Alkyl chlorides
- Substituents
- Aliphatic acyclic compound / Alkyl chloride / Alkyl halide / Hydrocarbon derivative / Monoalkyl phosphate / Organic oxide / Organic oxygen compound / Organochloride / Organohalogen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- monoalkyl phosphate (CHEBI:9695)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J712EO9048
- CAS number
- 306-52-5
- InChI Key
- YYQRGCZGSFRBAM-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
- IUPAC Name
- (2,2,2-trichloroethoxy)phosphonic acid
- SMILES
- OP(O)(=O)OCC(Cl)(Cl)Cl
References
- General References
- Not Available
- External Links
- KEGG Drug
- D08634
- KEGG Compound
- C07165
- ChemSpider
- 5362
- 38610
- ChEBI
- 9695
- ChEMBL
- CHEMBL1201317
- ZINC
- ZINC000003831574
- Wikipedia
- Triclofos
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Unknown Status Supportive Care Autism Disorder 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.86 mg/mL ALOGPS logP 0.8 ALOGPS logP 0.93 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 1.17 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 39.09 m3·mol-1 Chemaxon Polarizability 15.74 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0002-9300000000-17f9e2215246d5f23053 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0290000000-e556031ed904b1bd3709 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-371f02f7fc51225253d8 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9010000000-d45572958bb7a7227fee Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-3090000000-910584fb87cb11678024 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-d93f7efe7120c6dc4385 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9400000000-0051ebd016da1abd9cd9 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]- 104.86355 predictedDeepCCS 1.0 (2019) [M+H]+ 108.629776 predictedDeepCCS 1.0 (2019) [M+Na]+ 117.49474 predictedDeepCCS 1.0 (2019)
Drug created at September 14, 2010 16:20 / Updated at February 02, 2024 22:54