Cas no 129724-56-7 (6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-)

6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)- structure
129724-56-7 structure
Product Name:6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-
CAS No:129724-56-7
MF:C20H25NO3
MW:327.417405843735
CID:155318
Update Time:2024-03-01

6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • 6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-
    • (+)-Colchiethine
    • 6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (S)-
    • Colchiethine
    • 6-Isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-
    • Inchi： 1S/C20H25NO3/c1-21-11-10-15-12-19(22)20(24-3)13-17(15)18(21)9-6-14-4-7-16(23-2)8-5-14/h4-5,7-8,12-13,18,22H,6,9-11H2,1-3H3/t18-/m0/s1
    • InChI Key： IIZILRNADRBANM-SFHVURJKSA-N
    • SMILES： [C@H]1(CCC2=CC=C(OC)C=C2)C2=C(C=C(O)C(OC)=C2)CCN1C

Computed Properties

  • Exact Mass: 327.18355
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • XLogP3: 1.743

Experimental Properties

  • Density: 1.121±0.06 g/cm3(Predicted)
  • Boiling Point: 474.5±45.0 °C(Predicted)
  • PSA: 41.93
  • pka: 9.96±0.40(Predicted)

6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)- Related Literature

Related Categories

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