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113-18-8 molecular structure
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(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol

ChemBase ID: 74
Molecular Formular: C7H9ClO
Molecular Mass: 144.59876
Monoisotopic Mass: 144.03419259
SMILES and InChIs

SMILES:
Cl/C=C/C(O)(CC)C#C
Canonical SMILES:
CCC(C#C)(/C=C/Cl)O
InChI:
InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+
InChIKey:
ZEHYJZXQEQOSON-AATRIKPKSA-N

Cite this record

CBID:74 http://www.chembase.cn/molecule-74.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol
1-chloro-3-ethylpent-1-en-4-yn-3-ol
IUPAC Traditional name
1-chloro-3-ethylpent-1-en-4-yn-3-ol
ethchlorvynol
Brand Name
Alvinol
Arvynol
Normonson
Normosan
Normoson
Nostel
Nromoson
Placidil
Placidyl
Roeridorm
Serenesil
Serenil
Serensil
Serensiloline
Synonyms
Aethyl-chlorvynol
Ethochlorvynol
Ethychlorvynol
Ethclorvynol
Ethchlorvinyl
Ethchlorvinol
Ethchlorovynol
Etchlorvinolo
Ethchlorvynol
1-Chloro-3-ethyl-1-penten-4-yn-3-ol
3-(β-Chlorvinyl)-1-pentyn-3-ol
Alvinol
Arvynol
Ethchlorvynol
Ethyl β-Chlorovinyl Ethynyl Carbinol
NSC 30372
Normoson
Nostel
Placidyl
Roeridorm
Serenesil
Serensil
CAS Number
113-18-8
PubChem SID
160963537
PubChem CID
5281077
ATC CODE
N05CM08
CHEMBL
591
Chemspider ID
4444534
DrugBank ID
DB00189
KEGG ID
D00704
Unique Ingredient Identifier
6EIM3851UZ
Wikipedia Title
Ethchlorvynol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
E677000 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 12.877911  H Acceptors
H Donor LogD (pH = 5.5) 1.6208194 
LogD (pH = 7.4) 1.620818  Log P 1.6208194 
Molar Refractivity 38.6382 cm3 Polarizability 14.74078 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.45  LOG S -3.0 
Solubility (Water) 1.43e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Clear Colorless Oil expand Show data source
Hydrophobicity(logP)
1.8 expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Admin Routes
Oral expand Show data source
Protein Bound
35–50% expand Show data source
Legal Status
Schedule IV expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC DrugBank DrugBank
Toronto Research Chemicals - E677000 external link
Controlled substance (depressant). Sedative; hypnotic.
DrugBank - DB00189 external link
Item Information
Drug Groups illicit; approved
Description Ethchlorvynol is a sedative and hypnotic drug. It has been used to treat insomnia, but has been largely superseded and is only offered where an intolerance or allergy to other drugs exists. [Wikipedia]
Indication Used for short-term hypnotic therapy in the management of insomnia for periods of up to one week in duration; however, this medication generally has been replaced by other sedative-hypnotic agents.
Pharmacology Ethchlorvynol is a sedative drug and schedule IV (USA) controlled substance. It produces cerebral depression, however the exact mechanism of action is not known.
Toxicity Symptoms of overdose include thrombocytopenia.
Affected Organisms
Humans and other mammals
Biotransformation About 90% of a dose is metabolized in the liver. Some ethchlorvynol may also be metabolized in the kidneys. Ethchlorvynol and metabolites undergo extensive enterohepatic recirculation.
Absorption Rapidly absorbed from gastrointestinal tract.
Half Life Plasma half-life is approximately 10 to 20 hours, terminal half-life is 21-100 hours.
Protein Binding 35-50%
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Horwitz, et al.: Drug Metab. Dispos., 8, 77 (1980)
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PATENTS

PATENTS

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INTERNET

INTERNET

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