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166100-39-6 molecular structure
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N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide

ChemBase ID: 155731
Molecular Formular: C23H38FNO
Molecular Mass: 363.5523232
Monoisotopic Mass: 363.29374306
SMILES and InChIs

SMILES:
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC(C)C(=O)NCCF
Canonical SMILES:
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC(C(=O)NCCF)C
InChI:
InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)
InChIKey:
HMMNZALKMVCHHZ-UHFFFAOYSA-N

Cite this record

CBID:155731 http://www.chembase.cn/molecule-155731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
IUPAC Traditional name
N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
Synonyms
2-Methyl-2′-fluoro AEA
Fluoromethanandamide
O-689
(±)-2-Methylarachidonoyl-2′-fluoroethylamide
CAS Number
166100-39-6
EC Number
200-578-6
MDL Number
MFCD01862615
PubChem SID
162249869
PubChem CID
5353617

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M1438 external link Add to cart Please log in.
Data Source Data ID
PubChem 5353617 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.1477165  H Acceptors
H Donor LogD (pH = 5.5) 6.747879 
LogD (pH = 7.4) 6.7478805  Log P 6.7478805 
Molar Refractivity 115.8476 cm3 Polarizability 43.026287 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
ethanol solution expand Show data source
Flash Point
14 °C expand Show data source
57.2 °F expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1170 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
7-16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1170 3/PG 2 expand Show data source
Drug Control
regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
Shipped in
wet ice expand Show data source
Empirical Formula (Hill Notation)
C23H38NOF expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M1438 external link
Biochem/physiol Actions
An analog of arachidonylethanolamide (anandamide) that is a potent, selective CB1 cannabinoid receptor agonist. The methyl group at the C-2 position of arachidonic acid gives the compound enhanced metabolic stability. It can fully substitute for Δ9-THC in animal self-administration tests.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. M1438.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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