Tìm theo
Arecoline
nootropic agents
Thuốc Gốc
Small Molecule
CAS: 63-75-2
CTHH: C8H13NO2
PTK: 155.1943
An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H13NO2
Phân tử khối
155.1943
Monoisotopic mass
155.094628665
InChI
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
InChI Key
InChIKey=HJJPJSXJAXAIPN-UHFFFAOYSA-N
IUPAC Name
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Traditional IUPAC Name
arecoline
SMILES
COC(=O)C1=CCCN(C)C1
Độ tan chảy
< 25 °C
Độ sôi
209 °C
Độ hòa tan
1E+006 mg/L (at 25 °C)
logP
0.35
logS
0.81
pKa (Strongest Basic)
8.23
PSA
29.54 Å2
Refractivity
43.86 m3·mol-1
Polarizability
17.1 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
7.16
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04365
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2230
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507231
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C10129
ChemSpider
http://www.chemspider.com/Chemical-Structure.13872064.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003368
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