Cas no 523-01-3 (Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-)

Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy- structure
523-01-3 structure
Product Name:Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-
CAS No:523-01-3
MF:C29H38N2O4
MW:478.623028278351
CID:1003194
PubChem ID:65033
Update Time:2025-04-20

Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy- Chemical and Physical Properties

Names and Identifiers

    • Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-
    • O-methylpsychotrine
    • (2R,3R,11bS)-2-[(6,7-Dimethoxy-3,4-dihydroisoquinoline-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizine
    • 1',2'-Didehydro-6',7',10,11-tetramethoxyemetan
    • (2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
    • (2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
    • 1',2'-Dehydroemetin
    • AC1L22FZ
    • EINECS 208-339-8
    • Methylpsychotrin
    • Methylpsychotrine
    • Psychotrine, O-methyl- (6CI,7CI)
    • SureCN181482
    • C17411
    • 523-01-3
    • SCHEMBL181482
    • CHEMBL471812
    • O-METHYLPSYCHOTRINE [MI]
    • UNII-V7C64CD3BR
    • CHEBI:81067
    • DTXSID70200318
    • NS00032476
    • Psychotrine, O-methyl-
    • O-methyl-psychotrine
    • 2H-BENZO(A)QUINOLIZINE, 2-((3,4-DIHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-, (2R,3R,11BS)-
    • V7C64CD3BR
    • 1',2'-DEHYDROEMETINE
    • Q27155023
    • BDBM50478516
    • FBRKYRSUSJWLHH-HMHJJOSWSA-N
    • 2H-Benzo[a]quinolizine, 2-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2R,3R,11bS)-
    • Inchi： 1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3
    • InChI Key： FBRKYRSUSJWLHH-UHFFFAOYSA-N
    • SMILES： CCC1C(CC2C3C(=CC(=C(C=3)OC)OC)CCN=2)CC2N(CCC3C2=CC(OC)=C(OC)C=3)C1

Computed Properties

  • Exact Mass: 478.283
  • Monoisotopic Mass: 478.283
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 732
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.5A^2
  • XLogP3: 2.962

Experimental Properties

  • Density: 1.21
  • Boiling Point: 599.4°C at 760 mmHg
  • Flash Point: 316.3°C
  • Refractive Index: 1.602

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