Chelerythrine chloride-sanguinarine chloride mixt.

C₄₁H₃₂Cl₂N₂O₈CAS 112025-60-2751.61 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₄₁H₃₂Cl₂N₂O₈
Molar mass: 751.61 g/mol
Exact mass: 750.1536 Da
logP: 1.15Crippen estimate
Polar surface area: 81.6 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 2

Identifiers

CAS number

112025-60-2

SMILES

COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-].[Cl-]

InChIKey

IGMMBJRQHHXEHN-UHFFFAOYSA-L

InChI

InChI=1S/C21H18NO4.C20H14NO4.2ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;1-21-8-15-12(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;;/h4-10H,11H2,1-3H3;2-8H,9-10H2,1H3;2*1H/q2*+1;;/p-2

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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, mixt. with 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-C]phenanthridinium chloride
[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride, mixt. contg.
Sanguinarine chloride mixt. with chelerythrine chloride
Sanguiritrine chloride
Macleaya extract chloride

Work with Chelerythrine chloride-sanguinarine chloride mixt.

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

Chelerythrine chloride3895-92-994 % similar Chelerythrine34316-15-988 % similar Sanguinarine hydrochloride5578-73-485 % similar Sanguinarine2447-54-379 % similar Nitidine, chloride13063-04-271 % similar Berberine hydrochloride633-65-848 % similar Berberine2086-83-143 % similar Epiberberine6873-09-241 % similar

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

Elsewhere

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