(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene

• ChemBase ID: 306170
• Molecular Formular: C18H19NO2
• Molecular Mass: 281.34896
• Monoisotopic Mass: 281.14157885
• SMILES: c1(c(c2c3c(c1)CCN[C@@H]3Cc1c2cccc1)OC)OC
• Canonical SMILES: COc1cc2CCN[C@H]3c2c(c1OC)c1ccccc1C3
• InChI: InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m1/s1
• InChIKey: QQKAHDMMPBQDAC-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2(7),3,5,13,15-hexaene
• IUPAC Traditional name: (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2(7),3,5,13,15-hexaene
• Synonyms: N-Nornuciferine

Database IDs

• CAS Number: 4846-19-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17145254
• LogD (pH = 7.4): 0.91532373
• Log P: 3.0030215
• Molar Refractivity: 83.658 cm^3
• Polarizability: 33.63486 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder