chempirical

Epiberberine

C20H18NO4+CAS 6873-09-2336.37 g/mol

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AcetalEther

Properties

Molecular formula
C20H18NO4+
Molar mass
336.37 g/mol
Exact mass
336.1236 Da
Melting point
260 °C
logP
3.10Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
6873-09-2
SMILES
COc1cc2c(cc1OC)-c1cc3ccc4c(c3c[n+]1CC2)OCO4
InChIKey
FPJQGFLUORYYPE-UHFFFAOYSA-N
InChI
InChI=1S/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

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Names and synonyms

4 names
  • Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizinium, 11,12-dihydro-8,9-dimethoxy-
  • Berbinium, 7,8,13,13a-tetradehydro-2,3-dimethoxy-9,10-(methylenedioxy)-
  • 11,12-Dihydro-8,9-dimethoxybenzo[a]-1,3-benzodioxolo[4,5-g]quinolizinium
  • Dehydrosinactine

Work with Epiberberine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Coptisine sulfate1198398-71-885 % similar Coptisine hydrochloride6020-18-480 % similar Palmatine3486-67-779 % similar Berberine hydrochloride633-65-879 % similar Palmatine chloride10605-02-475 % similar Neutral berberine sulfate316-41-671 % similar Berberine bisulfate633-66-968 % similar Columbamine3621-36-165 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Berberine2086-83-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook