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CHEBI:4882 - ethchlorvynol

ChEBI IDCHEBI:4882
ChEBI Nameethchlorvynol
Stars
DefinitionPropargyl alcohol in which the methylene hydrogens are substituted by ethyl and 2-chlorovinyl groups. A hypnotic and sedative, it is used for treatment of insomnia in some cases where an intolerance or allergy to more commonly used drugs exists.
Secondary ChEBI IDCHEBI:119469
Last Modified22 February 2017
DownloadsMolfile
FormulaC7H9ClO
Net Charge0
Average Mass144.601
Monoisotopic Mass144.03419
SMILES[H]C(Cl)=CC(O)(C#C)CC
InChIInChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3
InChIKeyZEHYJZXQEQOSON-UHFFFAOYSA-N
Roles Classification
Application:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
ethchlorvynol (CHEBI:4882) has role sedative (CHEBI:35717)
ethchlorvynol (CHEBI:4882) is a enyne (CHEBI:59831)
ethchlorvynol (CHEBI:4882) is a organochlorine compound (CHEBI:36683)
ethchlorvynol (CHEBI:4882) is a terminal acetylenic compound (CHEBI:73477)
ethchlorvynol (CHEBI:4882) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
1-chloro-3-ethylpent-1-en-4-yn-3-ol
INNs  Source
etclorvinolChemIDplus
ethchlorvynolChemIDplus
ethchlorvynolumChemIDplus
Synonyms  Source
1-Chloro-3-ethyl-pent-1-en-4-yn-3-olChEMBL
1-chloro-3-ethyl-1-penten-4-yn-3-olChemIDplus
3-(β-chlorovinyl)-1-pentyn-3-olChemIDplus
ethyl β-chlorovinyl ethynyl carbinolChemIDplus
β-chlorovinyl ethyl ethynyl carbinolNIST Chemistry WebBook
Manual XrefsDatabases
C07833KEGG COMPOUND
DB00189DrugBank
US2746900Patent
D00704KEGG DRUG
1078DrugCentral
Registry NumbersSources
CAS:113-18-8KEGG COMPOUND
CAS:113-18-8ChemIDplus
CAS:113-18-8NIST Chemistry WebBook
Citations