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Chemical structure of Sinapine thiocyanate

GC30033

Sinapine thiocyanate

Also known as 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium thiocyanate

Sinapine thiocyanate is an alkaloid isolated from seeds of the cruciferous species· Sinapine thiocyanate exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects· Sinapine thiocyanate is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease

ChemicalCAS7431-77-8MW368.45FormulaC17H24N2O5S
CAS number
7431-77-8
Molecular weight
368.45
Formula
C17H24N2O5S
Solubility
DMSO : ≥ 125 mg/mL (339·26 mM)
InChIKey
YLELSNOPYHTYTB-UHFFFAOYSA-N
Catalogue number
GC30033
Brand
GLPBIO
Computed properties PubChem CID 22155122 · TPSA 89.8 Ų · H-bond donors 1 · H-bond acceptors 7
TPSA
89.8 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
25

SMILES C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.C(#N)[S-]

Computed descriptors from PubChem (CID 22155122), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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