Tìm theo
Bufotenine
Thuốc Gốc
Small Molecule
CAS: 487-93-4
CTHH: C12H16N2O
PTK: 204.2682
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H16N2O
Phân tử khối
204.2682
Monoisotopic mass
204.126263144
InChI
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChI Key
InChIKey=VTTONGPRPXSUTJ-UHFFFAOYSA-N
IUPAC Name
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
Traditional IUPAC Name
bufotenine
SMILES
CN(C)CCC1=CNC2=C1C=C(O)C=C2
Độ tan chảy
146.5 °C
Độ hòa tan
3.20e+00 g/l
logP
1.29
logS
-1.8
pKa (strongest acidic)
9.23
pKa (Strongest Basic)
9.91
PSA
39.26 Å2
Refractivity
62.42 m3·mol-1
Polarizability
23.29 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Bufotenin is a tryptamine related to the neurotransmitter serotonin.
Dược Động Học :
▧ Absorption :
Rapidly absorbed following intravenous administration.
▧ Metabolism :
Orally administered bufotenine undergoes extensive first-pass metabolism by the enzyme monoamine oxidase.
Độc Tính : Ingestion of Bufo toad venom and eggs by humans has resulted in several reported cases of poisoning, some of which resulted in death. The acute toxicity of bufotenin in rodents has been calculated to have an LD50 of between 200 and 300 mg/kg, which by comparison, is comparable to the LD50 for intravenous morphine (200-300 mg/kg) in mice. Death occurs by respiratory arrest.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01445
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10257
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507174
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C08299
ChemSpider
http://www.chemspider.com/Chemical-Structure.9839.html
Wikipedia
http://en.wikipedia.org/wiki/Bufotenine
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