TCV

1,1,2-trichloroethene

Created:	2014-06-25
Last modified:	2014-10-15

Find Related PDB Entry
1 entries where TCV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	6
Chiral Atom Count	0
Bond Count	5
Aromatic Bond Count	0

2D diagram of TCV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,1,2-trichloroethene
Systematic Name (OpenEye OEToolkits)	1,1,2-tris(chloranyl)ethene
Formula	C₂ H Cl₃
Molecular Weight	131.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cl[C@H]=C(Cl)Cl
SMILES	CACTVS	3.385	ClC=C(Cl)Cl
SMILES	OpenEye OEToolkits	1.7.6	C(=C(Cl)Cl)Cl
Canonical SMILES	CACTVS	3.385	ClC=C(Cl)Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(=C(Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKey	InChI	1.03	XSTXAVWGXDQKEL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB13323
Name	Trichloroethylene
Groups	approved
Description	Trichloroethylene is a halocarbon commonly used as 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.
Synonyms	acetylene trichloride TCE ethylene trichloride ethinyl trichloride trichloroéthylène trichlor Trichloroethylene trichloroethylenum triciene Trichloräthylen Trichloroethene 1,1-dichloro-2-chloroethylene Trichloräthen Narcogen trichloréthylène
Categories	Agents that produce hypertension Anesthetics Anesthetics, General Anesthetics, Inhalation Central Nervous System Agents Central Nervous System Depressants Compounds used in a research, industrial, or household setting Hydrocarbons, Chlorinated Hydrocarbons, Halogenated Nervous System Solvents
ATC-Code	N01AB05
CAS number	79-01-6

Related Resource References

Resource Name	Reference
PubChem	6575
ChEMBL	CHEMBL279816
ChEBI	CHEBI:16602
CCDC/CSD	FEGDAY, CELWOG

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.