Oxyberberine (Oxyberberin) is a naturally occurring alkaloid.

Physicochemical Properties

Molecular Formula	C20H17NO5
Molecular Weight	351.36
Exact Mass	351.11
CAS #	549-21-3
PubChem CID	11066
Appearance	Light yellow to yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	611.5±55.0 °C at 760 mmHg
Melting Point	200-201ºC
Flash Point	323.6±31.5 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.691
LogP	3.87
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	26
Complexity	607
Defined Atom Stereocenter Count	0
InChi Key	ZHYQCBCBTQWPLC-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3
Chemical Name	16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
Synonyms	Berlambine Ketoberberine Oxyberberine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2015;32(6):799.
Additional Infomation	Oxyberberine has been reported in Arcangelisia gusanlung, Thalictrum foliolosum, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~16.67 mg/mL (~47.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (5.69 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2 mg/mL (5.69 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8461 mL	14.2304 mL	28.4608 mL
	5 mM	0.5692 mL	2.8461 mL	5.6922 mL
	10 mM	0.2846 mL	1.4230 mL	2.8461 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.