Triclofos

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Approved, Withdrawn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
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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Triclofos is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Triclofos.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Triclofos.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Triclofos.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Triclofos.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Triclofos sodium9F90KA5Q8U7246-20-0WFKJEZKHPGDCRK-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
KEGG Drug
D08634
KEGG Compound
C07165
ChemSpider
5362
RxNav
38610
ChEBI
9695
ChEMBL
CHEMBL1201317
ZINC
ZINC000003831574
Wikipedia
Triclofos

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusSupportive CareAutism Disorder1

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
PropertyValueSource
Water Solubility7.86 mg/mLALOGPS
logP0.8ALOGPS
logP0.93Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)1.17Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.76 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity39.09 m3·mol-1Chemaxon
Polarizability15.74 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-9300000000-17f9e2215246d5f23053
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0290000000-e556031ed904b1bd3709
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-371f02f7fc51225253d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9010000000-d45572958bb7a7227fee
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-3090000000-910584fb87cb11678024
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-d93f7efe7120c6dc4385
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-0051ebd016da1abd9cd9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-104.86355
predicted
DeepCCS 1.0 (2019)
[M+H]+108.629776
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.49474
predicted
DeepCCS 1.0 (2019)

Drug created at September 14, 2010 16:20 / Updated at February 02, 2024 22:54