TCV

1,1,2-trichloroethene

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

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1 entries where TCV is found as a standalone ligand

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

2D diagram of TCV

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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	triciene Narcogen Trichloroethylene Trichloräthen ethinyl trichloride trichloroethylenum trichloroéthylène TCE 1,1-dichloro-2-chloroethylene ethylene trichloride trichlor trichloréthylène Trichloroethene Trichloräthylen acetylene trichloride
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.