6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one,4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)- (510-77-0)

The Galanthaminone, with its CAS registry number 510-77-0, has the systematic name of  (4aS,8aS)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-one. For being a kind of white to off-white chemical, its product categories are including Various Metabolites and Impurities; Heterocycles; Intermediates & Fine Chemicals; Metabolites; Pharmaceuticals.

The characteristics of this chemical are as below: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 23; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.77; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 78.917 cm³; (15)Molar Volume: 222.88 cm³; (16)Polarizability: 31.285×10^-24 cm³; (17)Surface Tension: 54.137 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 194.134 °C; (20)Enthalpy of Vaporization: 64.782 kJ/mol; (21)Boiling Point: 397.388 °C at 760 mmHg; (22)Exact Mass: 285.136493; (23)MonoIsotopic Mass: 285.136493; (24)Topological Polar Surface Area: 47.9; (25)Heavy Atom Count: 21; (26)Complexity: 628; (27)Covalently-Bonded Unit Count: 1.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1CC2C3=C(C1)C=NC(=CC34CC(=O)C=CC4O2)OC
(2)Isomeric SMILES: CC1CC2C3=C(C1)C=NC(=CC34CC(=O)C=C[C@@H]4O2)OC
(3)InChI: InChI=1S/C17H19NO3/c1-10-5-11-9-18-15(20-2)8-17-7-12(19)3-4-14(17)21-13(6-10)16(11)17/h3-4,8-10,13-14H,5-7H2,1-2H3/t10?,13?,14-,17?/m0/s1
(4)InChIKey: VCECTBKDHBUXPQ-IOZHMPNSSA-N