Palmatine

C21H22NO4+CAS 3486-67-7352.41 g/mol

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OOOON+
Ether

Properties

Molecular formula
C21H22NO4+
Molar mass
352.41 g/mol
Exact mass
352.1549 Da
Melting point
187–189 °C
logP
3.38Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3486-67-7
SMILES
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
InChIKey
QUCQEUCGKKTEBI-UHFFFAOYSA-N
InChI
InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1

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Names and synonyms

10 names
  • Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-
  • Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-
  • 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium
  • Berbericinine
  • O,O-Dimethyldemethyleneberberine
  • Depiline
  • Fibrauretin
  • Huang teng su
  • Fibrauretine
  • 2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Work with Palmatine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Palmatine chloride10605-02-4Salt

Similar compounds

Berberine2086-83-187 % similar Berberine hydrochloride633-65-882 % similar Columbamine3621-36-181 % similar Demethyleneberberine25459-91-079 % similar Epiberberine6873-09-279 % similar Neutral berberine sulfate316-41-673 % similar Berberine bisulfate633-66-970 % similar Coptisine sulfate1198398-71-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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