3,4,10,11-tetramethoxy-7,8-dihydro-6λ5-azatetraphen-6-ylium

• ChemBase ID: 304004
• Molecular Formular: C21H22NO4+
• Molecular Mass: 352.40368
• Monoisotopic Mass: 352.15488319
• SMILES: c1(c(cc2c(c1)CC[n+]1c2cc2c(c1)c(c(cc2)OC)OC)OC)OC
• Canonical SMILES: COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC
• 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
• InChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,10,11-tetramethoxy-7,8-dihydro-6λ^5-azatetraphen-6-ylium
• IUPAC Traditional name: palmatine
• Synonyms: Berbericinine. Hindarinine. Gindarinine; Palmatine

Database IDs

• CAS Number: 3486-67-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2218883
• LogD (pH = 7.4): -1.2218883
• Log P: -1.2218883
• Molar Refractivity: 100.6828 cm^3
• Polarizability: 41.039276 Å^3
• Polar Surface Area: 40.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder