chempirical

Sanguinarine hydrochloride

C20H14ClNO4CAS 5578-73-4367.79 g/mol

Open in Covalent MOL file
N+OOOOCl−
AcetalEther

Properties

Molecular formula
C20H14ClNO4
Molar mass
367.79 g/mol
Exact mass
367.0611 Da
Melting point
287–289 °C
logP
0.43Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
5578-73-4
SMILES
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]
InChIKey
GIZKAXHWLRYMLE-UHFFFAOYSA-M
InChI
InChI=1S/C20H14NO4.ClH/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;1H/q+1;/p-1

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Names and synonyms

5 names
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, chloride (1:1)
  • Sanguinarine, chloride
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, chloride
  • 13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium chloride
  • Sanguinarium chloride

Work with Sanguinarine 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

Sanguinarine2447-54-393 % similar Chelerythrine chloride-sanguinarine chloride mixt.112025-60-285 % similar Chelerythrine chloride3895-92-979 % similar Chelerythrine34316-15-973 % similar Nitidine, chloride13063-04-267 % similar Coptisine hydrochloride6020-18-445 % similar Coptisine sulfate1198398-71-840 % similar Berberine hydrochloride633-65-837 % similar

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

Elsewhere

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