chempirical

Neutral berberine sulfate

C20H18NO8S−CAS 316-41-6432.42 g/mol

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Properties

Molecular formula
C20H18NO8S−
Molar mass
432.42 g/mol
Exact mass
432.0753 Da
logP
1.76Crippen estimate
Polar surface area
121.1 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
2

Identifiers

CAS number
316-41-6
SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O=S(=O)([O-])[O-]
InChIKey
JISRTQBQFQMSLG-UHFFFAOYSA-L
InChI
InChI=1S/C20H18NO4.H2O4S/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;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Berberine, sulfate
  • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (2:1)
  • Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (2:1)
  • Berberine sulfate (2:1)

Work with Neutral berberine sulfate

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

Berberine2086-83-183 % similar Berberine bisulfate633-66-983 % similar Palmatine3486-67-773 % similar Epiberberine6873-09-271 % similar Coptisine sulfate1198398-71-865 % similar Columbamine3621-36-164 % similar Coptisine hydrochloride6020-18-462 % similar Dehydrocorydaline30045-16-047 % similar

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

Elsewhere

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