Epiberberine supplier | CasNO.6873-09-2

Name
Epiberberine
EINECS
CAS No. 6873-09-2
Article Data3
CAS DataBase
Density
Solubility
Melting Point 260oC
Formula C₂₀H₁₈NO₄
Boiling Point
Molecular Weight 336.367
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Berbinium,7,8,13,13a-tetradehydro-2,3-dimethoxy-9,10-(methylenedioxy)- (8CI);Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizinium,11,12-dihydro-8,9-dimethoxy-;
PSA 40.80000
LogP 3.09630

Epiberberine Specification

The Epiberberine, with the CAS registry number 6873-09-2, is also known as Benzo[a]-1, 3-benzodioxolo[4, 5-g]quinolizinium, 11, 12-dihydro-8, 9-dimethoxy-. This chemical's molecular formula is C₂₀H₁₈NO₄ and molecular weight is 336.36. What's more, its systematic name is 8, 9-Dimethoxy-11, 12-dihydro[1, 3]dioxolo[4, 5-h]isoquino[2, 1-b]isoquinolin-13-ium. In addition, this chemical is isolated in plants of Coptis from China.

Physical properties about Epiberberine are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.87; (8)ACD/KOC (pH 7.4): 6.87; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.8 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: O1c3c(OC1)c2c[n+]5c(cc2cc3)c4cc(OC)c(OC)cc4CC5
(2) InChI: InChI=1/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
(3) InChIKey: FPJQGFLUORYYPE-UHFFFAOYAM

Product Name

Epiberberine

Epiberberine Specification

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