Berberine chlorideProduct ingredient for Berberine
- Name
- Berberine chloride
- Drug Entry
- Berberine
An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal.
- Accession Number
- DBSALT002313
- Structure
Structure for Berberine chloride (DBSALT002313)
- Synonyms
- Not Available
- UNII
- UOT4O1BYV8
- CAS Number
- 633-65-8
- Weight
- Average: 371.814
Monoisotopic: 371.092435776 - Chemical Formula
- C20H18ClNO4
- InChI Key
- VKJGBAJNNALVAV-UHFFFAOYSA-M
- InChI
- InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
- IUPAC Name
- 16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium chloride
- SMILES
- [Cl-].COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
- External Links
- Human Metabolome Database
- HMDB0041837
- KEGG Compound
- C12679
- ChemSpider
- 11947
- ChEBI
- 31271
- ChEMBL
- CHEMBL12089
- Predicted Properties
Property Value Source Water Solubility 0.000393 mg/mL ALOGPS logP -0.41 ALOGPS logP -1.3 Chemaxon logS -6 ALOGPS pKa (Strongest Basic) -4.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.8 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 93.52 m3·mol-1 Chemaxon Polarizability 36.89 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon