(9S)-4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene hydrochloride

• ChemBase ID: 306338
• Molecular Formular: C20H24ClNO4
• Molecular Mass: 377.86186
• Monoisotopic Mass: 377.13938593
• SMILES: c1(c(c2c3c(c1)CCN[C@H]3Cc1c2cc(c(c1)OC)OC)OC)OC.Cl
• Canonical SMILES: COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(cc3CCN1)OC.Cl
• InChI: InChI=1S/C20H23NO4.ClH/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2;/h8-10,14,21H,5-7H2,1-4H3;1H/t14-;/m0./s1
• InChIKey: WDRUUWONOHBDED-UQKRIMTDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9S)-4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,13(17),14-hexaene hydrochloride
• IUPAC Traditional name: (9S)-4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,13(17),14-hexaene hydrochloride
• Synonyms: Norglaucine hydrochloride

Database IDs

• CAS Number: 39945-41-0

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.47893155
• LogD (pH = 7.4): 0.64801854
• Log P: 2.687679
• Molar Refractivity: 96.5844 cm^3
• Polarizability: 38.623653 Å^3
• Polar Surface Area: 48.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder