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Chemical structure of Demethyleneberberine chloride

GC68961

Demethyleneberberine chloride

Also known as 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol chloride

Demethyleneberberine chloride is a natural mitochondrial-targeted antioxidant· It alleviates colitis in mice and inhibits inflammatory responses by suppressing the NF-κB pathway and regulating Th cell balance· Demethyleneberberine chloride can also serve as an AMPK activator for research on non-alcoholic fatty liver disease (NAFLD)

ChemicalCAS16705-03-6MW359.8FormulaC19H18ClNO4
CAS number
16705-03-6
Molecular weight
359.8
Formula
C19H18ClNO4
Solubility
DMSO ： 2 mg/mL (5·56 mM; Need ultrasonic)
InChIKey
CUUPIALXJLKAFN-UHFFFAOYSA-N
Catalogue number
GC68961
Brand
GLPBIO
Computed properties PubChem CID 363208 · TPSA 62.8 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
62.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC.[Cl-]

Computed descriptors from PubChem (CID 363208), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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