Berberine sulfate anhydrousProduct ingredient for Berberine
- Name
- Berberine sulfate anhydrous
- 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
- DBSALT002312
- Structure
Structure for Berberine sulfate anhydrous (DBSALT002312)
- Synonyms
- Not Available
- UNII
- FST3E667FF
- CAS Number
- 316-41-6
- Weight
- Average: 768.79
Monoisotopic: 768.198895781 - Chemical Formula
- C40H36N2O12S
- InChI Key
- OJVABJMSSDUECT-UHFFFAOYSA-L
- InChI
- InChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
- IUPAC Name
- bis(16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-13-ylium) sulfate
- SMILES
- [O-]S([O-])(=O)=O.COC1=CC=C2C=C3C4=C(CC[N+]3=CC2=C1OC)C=C1OCOC1=C4.COC1=CC=C2C=C3C4=C(CC[N+]3=CC2=C1OC)C=C1OCOC1=C4
- External Links
- ChemSpider
- 9053
- Predicted Properties
Property Value Source Water Solubility 0.000325 mg/mL ALOGPS logP 3.02 ALOGPS logP -1.3 Chemaxon logS -6.4 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 4 Chemaxon Refractivity 93.52 m3·mol-1 Chemaxon Polarizability 36.92 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon