Cas no 64228-77-9 (2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI))

2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI) structure
64228-77-9 structure
Product Name:2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI)
CAS No:64228-77-9
MF:C51H66N2O12
MW:899.075955867767
CID:505605
PubChem ID:6454827
Update Time:2025-04-19

2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7- dimethoxy-, 1,1'-(1,5- pentanediyl) e...
    • 2(1H)-ISOQUINOLINEPROPANOIC ACID,1-[(3,4-DIMETHOXYPHENYL)METHYL]-3,4-DIHYDRO-6,7- DIMETHOXY-, 1,1'-(1,5- PENTANEDIYL) ESTER
    • 2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI)
    • 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
    • 1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
    • 1,5-Pentanediyl bis(1-((3,4-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate)
    • 1,1'-(1,5-Pentanediyl) bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate]
    • DTXSID901106870
    • NS00054154
    • EINECS 264-740-8
    • NCGC00253668-01
    • SCHEMBL7759967
    • 64228-77-9
    • 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
    • InChI Key： KFNBBSMQNSQPPJ-UHFFFAOYSA-N
    • SMILES： O(C)C1C(=CC2CCN(CCC(=O)OCCCCCOC(CCN3CCC4C=C(C(=CC=4C3CC3C=CC(=C(C=3)OC)OC)OC)OC)=O)C(CC3C=CC(=C(C=3)OC)OC)C=2C=1)OC

Computed Properties

  • Exact Mass: 898.46200
  • Monoisotopic Mass: 898.461576
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 26
  • Complexity: 1290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 133
  • XLogP3: 7.8

Experimental Properties

  • Density: 1.164
  • Boiling Point: 916.8°C at 760 mmHg
  • Flash Point: 508.3°C
  • Refractive Index: 1.556
  • PSA: 132.92000
  • LogP: 7.65210

2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI) Related Literature

64228-77-9 (2(1H)-Isoquinolinepropanoicacid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester (9CI)) Related Products

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