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126-52-3 molecular structure
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1-ethynylcyclohexyl carbamate

ChemBase ID: 903
Molecular Formular: C9H13NO2
Molecular Mass: 167.20502
Monoisotopic Mass: 167.09462866
SMILES and InChIs

SMILES:
O(C1(CCCCC1)C#C)C(=O)N
Canonical SMILES:
C#CC1(CCCCC1)OC(=O)N
InChI:
InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChIKey:
GXRZIMHKGDIBEW-UHFFFAOYSA-N

Cite this record

CBID:903 http://www.chembase.cn/molecule-903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethynylcyclohexyl carbamate
IUPAC Traditional name
ethinamate
Brand Name
Valamin
Valaminettae
Valaminetten
Valmid
Valmidate
Volamin
Synonyms
USAF EL-42
Ethinamat
Ethinimate
Etinamate
Ethinamate
Ethinamate
1-乙炔基环己醇氨基甲酸酯
炔己蚁胺
CAS Number
126-52-3
EC Number
204-789-4
MDL Number
MFCD00063343
PubChem SID
46507468
24894502
160964366
PubChem CID
3284
CHEBI ID
4884
CHEMBL
1576
Chemspider ID
3169
DrugBank ID
DB01031
KEGG ID
D00703
Unique Ingredient Identifier
IAN371PP48
Wikipedia Title
Ethinamate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
E3258 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 15.371113  H Acceptors
H Donor LogD (pH = 5.5) 1.5401251 
LogD (pH = 7.4) 1.5401251  Log P 1.5401251 
Molar Refractivity 44.5735 cm3 Polarizability 17.399368 Å3
Polar Surface Area 52.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.09  LOG S -3.2 
Solubility (Water) 1.06e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
2500 mg/L expand Show data source
Hydrophobicity(logP)
1.2 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Drug Control
USDEA Schedule IV; Home Office Schedule 3; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Admin Routes
Oral expand Show data source
Legal Status
Rx-only expand Show data source
Gene Information
human ... CA1(759) expand Show data source
Grade
analytical standard, for drug analysis expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich DrugBank DrugBank
Sigma Aldrich - E3258 external link
Biochem/physiol Actions
尿烷衍生物,起效快,历时短
DrugBank - DB01031 external link
Item Information
Drug Groups illicit; approved
Description Ethinamate is a short-acting sedative-hypnotic medication used to treat insomnia. Regular use leads to tolerance, and it is usually not effective for more than 7 days. Structurally, it does not resemble the barbituates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates.
Indication Used for the short-term treatment of insomnia, however, it generally has been replaced by other sedative-hypnotic agents.
Pharmacology Ethinamate is used to treat insomnia (trouble in sleeping). However, it has generally been replaced by other medicines for the treatment of insomnia. If ethinamate is used regularly (for example, every day) to help produce sleep, it is usually not effective for more than 7 days. Structurally, it does not resemble the barbiturates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates. Continued and inappropriate use of ethinamate can lead to tolerance and physical dependence, with withdrawal symptoms very similar to those of the barbiturates.
Toxicity Symptoms of overdose include shortness of breath or slow or troubled breathing, slow heartbeat, severe weakness, chronic confusion, slurred speech, and staggering.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Rapidly absorbed following oral administration.
Half Life 2.5 hours
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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