1,5-Pentanediyl bis{3-[(1R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]propanoate}
[CAS# 64228-84-8]

Identification

• Name: 1,5-Pentanediyl bis{3-[(1R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]propanoate}
• Synonyms: 1,5-Pentandiyl-bis{3-[(1R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl]propanoat}; 1,5-Pentanediyl bis{3-[(1R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]propanoate}; 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester, (1R)-
• Molecular Formula: C₅₁H₆₆N₂O₁₂
• Molecular Weight: 899.08
• CAS Registry Number: 64228-84-8
• SMILES: COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCc5cc(c(cc5[C@H]4Cc6ccc(c(c6)OC)OC)OC)OC)OC)OC
• InChI: 1S/C51H66N2O12/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3/t40-,41-/m1/s1
• InChIKey: KFNBBSMQNSQPPJ-GYOJGHLZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 916.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 508.3±34.3°C (Cal.)