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Chemical structure of Berberine chloride hydrate

GC35497

Berberine chloride hydrate

Also known as 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;hydrate

Berberine chloride hydrate (Natural Yellow 18 chloride hydrate) is an alkaloid that acts as an antibiotic· Berberine chloride hydrate induces reactive oxygen species (ROS) generation and inhibits DNA topoisomerase· Antineoplastic properties

ChemicalCAS68030-18-2MW389.83FormulaC20H20ClNO5
CAS number
68030-18-2
Molecular weight
389.83
Formula
C20H20ClNO5
Solubility
DMSO: ≥ 3·9 mg/mL (10·00 mM); Water: 1·25 mg/mL (3·21 mM)
InChIKey
BPNJXFPOPCFZOC-UHFFFAOYSA-M
Catalogue number
GC35497
Brand
GLPBIO
Computed properties PubChem CID 155074 · TPSA 41.8 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
41.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27

SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-]

Computed descriptors from PubChem (CID 155074), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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