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Chemical structure of 13-Methylberberine chloride

GC18237

13-Methylberberine chloride

Also listed as 13-Methylberberine (chloride)

13-Methylberberine (13-MB) (chloride) is a 13-methyl-substituted derivative of berberine

ChemicalCAS54260-72-9MW385.8FormulaC21H20NO4·Cl
CAS number
54260-72-9
Molecular weight
385.8
Formula
C21H20NO4·Cl
Solubility
Water： 1 mg/ml
InChIKey
MLEFNGNLISNJEQ-UHFFFAOYSA-M
Catalogue number
GC18237
Brand
GLPBIO
Computed properties PubChem CID 148670 · TPSA 40.8 Ų · H-bond donors 0 · H-bond acceptors 5
TPSA
40.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC.[Cl-]

Computed descriptors from PubChem (CID 148670), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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