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经验公式(希尔记法):
C13H14N2 · HCl · xH2O
化学文摘社编号:
分子量:
234.72 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
51111800
MDL number:
产品名称
4-四氢吖啶 盐酸盐 水合物, ≥99%
InChI
1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
SMILES string
O.Cl.Nc1c2CCCCc2nc3ccccc13
InChI key
PXGRMZYJAOQPNZ-UHFFFAOYSA-N
assay
≥99%
form
powder
mp
284-286 °C (lit.)
solubility
H2O: soluble
Quality Level
Gene Information
human ... ACHE(43)
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相关类别
signalword
Danger
Hazard Classifications
Acute Tox. 3 Oral - Carc. 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
M Harel et al.
Proceedings of the National Academy of Sciences of the United States of America, 90(19), 9031-9035 (1993-10-01)
Binding sites of Torpedo acetylcholinesterase (EC 3.1.1.7) for quaternary ligands were investigated by x-ray crystallography and photoaffinity labeling. Crystal structures of complexes with ligands were determined at 2.8-A resolution. In a complex with edrophonium, and quaternary nitrogen of the ligand
Go Koganemaru et al.
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Cholinesterases (ChE) are well-known drug targets for the treatment of Alzheimer's disease (AD). In continuation of work to develop novel cholinesterase inhibitors, we utilized a structure-based scaffold repurposing approach and discovered six novel ChE inhibitors from our recently developed DNA
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