chempirical

Sanguinarine

C20H14NO4+CAS 2447-54-3332.34 g/mol

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Properties

Molecular formula
C20H14NO4+
Molar mass
332.34 g/mol
Exact mass
332.0923 Da
Melting point
266 °C
logP
3.43Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
2447-54-3
SMILES
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3
InChIKey
INVGWHRKADIJHF-UHFFFAOYSA-N
InChI
InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1

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Names and synonyms

7 names
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-
  • 13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium
  • Pseudochelerythrine
  • Sanguinarin
  • Sanguinarium
  • Sangrovit
  • UI5

Work with Sanguinarine

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

Sanguinarine hydrochloride5578-73-493 % similar Chelerythrine chloride-sanguinarine chloride mixt.112025-60-279 % similar Chelerythrine34316-15-978 % similar Chelerythrine chloride3895-92-973 % similar Nitidine, chloride13063-04-261 % similar Coptisine sulfate1198398-71-842 % similar Coptisine hydrochloride6020-18-440 % similar Epiberberine6873-09-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook