chempirical

Coptisine hydrochloride

C19H14ClNO4CAS 6020-18-4355.77 g/mol

Open in Covalent MOL file
Cl−OON+OO
AcetalEther

Properties

Molecular formula
C19H14ClNO4
Molar mass
355.77 g/mol
Exact mass
355.0611 Da
Melting point
218 °C
logP
-0.19Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
6020-18-4
SMILES
[Cl-].c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4
InChIKey
LUXPUVKJHVUJAV-UHFFFAOYSA-M
InChI
InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1

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

Names and synonyms

4 names
  • Bis[1,3]benzodioxolo[5,6-a:4′,5′-g]quinolizinium, 6,7-dihydro-, chloride (1:1)
  • Bis[1,3]benzodioxolo[5,6-a:4′,5′-g]quinolizinium, 6,7-dihydro-, chloride
  • Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride
  • Coptisine chloride

Work with Coptisine hydrochloride

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 sulfate1198398-71-893 % similar Epiberberine6873-09-280 % similar Berberine hydrochloride633-65-878 % similar Berberine2086-83-173 % similar Palmatine chloride10605-02-467 % similar Neutral berberine sulfate316-41-662 % similar Palmatine3486-67-762 % similar Berberine bisulfate633-66-960 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook