1,4-Bis((1R)-((1S,2S,4S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine

• CAS: 140924-50-1
• Catalog Number: ACM140924501
• Category: Other Products
• Molecular Weight: 778.998g/mol
• Molecular Formula: C48H54N6O4
• Synonyms: ZINC150339447; (3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan; BP-12219; 1,4-Bis(9-O-dihydroquinyl)phthalazine; 924D501; (DHQ)2 PHAL; (8ALPHA,9R,8'''ALPHA,9'''R)-9,9'-[PHTHALAZINE-1,4-DIYLBIS(OXY)]BIS(6'-METHOXY-10,11-DIHYDROCINCHONAN); (DHQ)2PHAL; (DHQ)2-PHAL; S-7988
• IUPAC Name: 4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
• Canonical SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC
• InChI: InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30+,31-,32+,43-,44-,45-,46-/m1/s1
• InChI Key: YUCBLVFHJWOYDN-PPIALRKJSA-N
• Complexity: 1250
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 8
• Exact Mass: 778.421g/mol
• H-Bond Acceptor: 10
• Heavy Atom Count: 58
• Monoisotopic Mass: 778.421g/mol
• Rotatable Bond Count: 12
• Topological Polar Surface Area: 95A^2

Synthetic Use

Upstream Synthesis Route 1

• 4752-10-7
• 522-66-7

• 140924-50-1

Reference: [1]Journal of Organic Chemistry,1992,vol. 57,p. 2768 - 2771