Cas no 479-39-0 (1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)-)

1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)- structure
479-39-0 structure
Product Name:1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)-
CAS No:479-39-0
MF:C20H23NO4
MW:341.40092587471
CID:333042
PubChem ID:94150
Update Time:2025-04-19

1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)-
    • 1H-(1)Benzoxepino(2,3,4-ij)isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)-
    • 1H-[1]Benzoxepino[2,3,4-ij]isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)-
    • (12AS)-2,3,12,12A-TETRAHYDRO-6,9,10-TRIMETHOXY-1-METHYL-1H-(1)BENZOXEPINO(2,3,4-IJ)ISOQUINOLINE
    • 6,9,10-Trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline #
    • 6,9,10-Trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline
    • 479-39-0
    • DTXSID80963962
    • DTMXRZMJFCVJQS-AWEZNQCLSA-N
    • NS00094117
    • (10S)-5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene
    • C09411
    • GHR9KA38RT
    • Cularine
    • Q27106275
    • 1H-(1)BENZOXEPINO(2,3,4-IJ)ISOQUINOLINE, 2,3,12,12A-TETRAHYDRO-6,9,10-TRIMETHOXY-1-METHYL-, (12AS)-
    • AKOS040745685
    • CHEBI:3958
    • UNII-GHR9KA38RT
    • (+)-Cularine
    • Inchi： 1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1
    • InChI Key： DTMXRZMJFCVJQS-AWEZNQCLSA-N
    • SMILES： O1C2C=C(C(=CC=2C[C@H]2C3=C1C(=CC=C3CCN2C)OC)OC)OC

Computed Properties

  • Exact Mass: 341.16279
  • Monoisotopic Mass: 341.162708
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 461
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.178
  • Boiling Point: 470.4°Cat760mmHg
  • Flash Point: 136.9°C
  • Refractive Index: 1.575
  • PSA: 40.16

1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)- Related Literature

Related Categories

479-39-0 (1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (12aS)-) Related Products

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