9-Acetyl Apoquinidine Methyl Ether

Analyte Name

9-Acetyl Apoquinidine Methyl Ether

CAS Number

139239-49-9

Molecular Formula

C22 H26 N2 O3

Molecular Weight

366.45

Accurate Mass

366.1943

SMILES

COc1ccc2nccc([C@H](OC(=O)C)[C@H]3C[C@@H]4CCN3C/C/4=C\C)c2c1

InChI

InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,16,21-22H,8,10-11,13H2,1-3H3/b15-4+/t16-,21+,22-/m0/s1

IUPAC

[(S)-[(2R,4S,5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat