This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Trichloroethylene
- DrugBank Accession Number
- DB13323
- Background
-
三氯乙烯是一种常用的卤烃an industrial solvent, not to be confused with the similar 1,1,1-trichloroethane, also known as chlorothene. It has been sold under a variety of trade names including Trimar and Trilene and used as a volatile anesthetic and as an inhaled obstetrical analgesic. Environmental exposure, particularly groundwater and drinking water contamination from industrial discharge, is a major concern for human health and has been the subject of numerous incidents and lawsuits.
- Type
- Small Molecule
- Groups
- Approved
- Structure
-
Structure for Trichloroethylene (DB13323)
- Weight
-
Average: 131.388
Monoisotopic: 129.914383153 - Chemical Formula
- C2HCl3
- Synonyms
-
- 1,1-dichloro-2-chloroethylene
- acetylene trichloride
- ethinyl trichloride
- ethylene trichloride
- Narcogen
- TCE
- trichlor
- Trichloräthen
- Trichloräthylen
- trichloréthylène
- Trichloroethene
- trichloroéthylène
- Trichloroethylene
- trichloroethylenum
- triciene
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
-
Hover over products below to view reaction partners
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Trichloroethylene. Acebutolol Trichloroethylene may decrease the antihypertensive activities of Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Trichloroethylene. Acemetacin The risk or severity of hypertension can be increased when Trichloroethylene is combined with Acemetacin. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Trichloroethylene. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Trichloroethylene. Acetylsalicylic acid The risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Trichloroethylene. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Trichloroethylene. Alclofenac The risk or severity of hypertension can be increased when Alclofenac is combined with Trichloroethylene. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Trichloroethylene. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - 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. - International/Other Brands
- Chlorylen
Categories
- ATC Codes
- N01AB05 — Trichloroethylene
- Drug Categories
- Chemical TaxonomyProvided byClassyfire
-
- Description
- This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organohalogen compounds
- Class
- Vinyl halides
- Sub Class
- Vinyl chlorides
- Direct Parent
- Vinyl chlorides
- Alternative Parents
- Chloroalkenes/Organochlorides/Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound/Chloroalkene/Haloalkene/Hydrocarbon derivative/Organochloride/Vinyl chloride
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- chloroethenes (CHEBI:16602)/a small molecule (TRICHLOROETHENE)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 290YE8AR51
- CAS number
- 79-01-6
- InChI Key
- XSTXAVWGXDQKEL-UHFFFAOYSA-N
- InChI
-
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
- IUPAC Name
-
1,1,2-trichloroethene
- SMILES
-
ClC=C(Cl)Cl
References
- 一般引用
- Not Available
- External Links
-
- Human Metabolome Database
- HMDB0029593
- KEGG Compound
- C06790
- ChemSpider
- 13837280
- 2534464
- ChEBI
- 16602
- ChEMBL
- CHEMBL279816
- ZINC
- ZINC000008214699
- PharmGKB
- PA166115521
- PDBe Ligand
- TCV
- Wikipedia
- Trichloroethylene
- PDB Entries
- 4ur0
Clinical Trials
- Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
-
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 1.96 mg/mL ALOGPS logP 2.45 ALOGPS logP 2.18 Chemaxon logS -1.8 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 35.18 m3·mol-1 Chemaxon Polarizability 9.59 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like规则 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 Not Available GC-MS Spectrum - EI-B GC-MS splash10-001j-9600000000-35bd416ad747042a0c53 GC-MS Spectrum - EI-B GC-MS splash10-001j-9800000000-152d0336467c74545ec4 GC-MS Spectrum - EI-B GC-MS splash10-03ea-9200000000-655b220bf877474e22b4 Mass Spectrum (Electron Ionization) MS splash10-001j-9600000000-1c547ee123cf751604dc 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 1H NMR Spectrum 1D NMR Not Applicable
Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54