Cas no 144424-79-3 (5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-)

5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- structure
144424-79-3 structure
Product Name:5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-
CAS No:144424-79-3
MF:C44H50N8
MW:690.921409130096
CID:192955
PubChem ID:5748504
Update Time:2025-04-19

5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- Chemical and Physical Properties

Names and Identifiers

    • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-
    • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl...
    • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tet
    • (5S,11R)-13,16-dimethyl-1,7-bis[(3aR,8aR)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine
    • Calycanthine, 8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indo-3a(1H)-yl)-, (2alpha,3alpha,8(3aR,8aR),8'(3aR,8aR))-
    • Calycanthine, 8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2alpha,3'alpha,8(3aR,8aR),8'(3aR,8aR))-
    • Psycholeine
    • 144424-79-3
    • (2R,11S)-5,14-Bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-19,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
    • 13,16-Dimethyl-1,7-bis(1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine
    • DTXSID20932314
    • Inchi: 1S/C44H50N8/c1-26-25-45-37-43-21-24-52(4)40(49-35-29(13-9-15-31(35)43)41-19-22-50(2)38(41)46-33-17-7-5-11-27(33)41)44(26,43)32-16-10-14-30(36(32)48-37)42-20-23-51(3)39(42)47-34-18-8-6-12-28(34)42/h5-18,26,37-40,45-49H,19-25H2,1-4H3/t26?,37-,38+,39+,40+,41+,42+,43?,44?/m0/s1
    • InChI Key: HEDIOFZXUDVGEU-WATQSORBSA-N
    • SMILES: N1(C)CCC23C4C=CC=C([C@@]56C7C=CC=CC=7N[C@@H]5N(C)CC6)C=4N[C@H]1C12C2C=CC=C([C@@]45C6C=CC=CC=6N[C@@H]4N(C)CC5)C=2N[C@@H]3NCC1C

Computed Properties

  • Exact Mass: 690.41584363g/mol
  • Monoisotopic Mass: 690.41584363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 2
  • Complexity: 1430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 69.9?2

5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- Related Literature

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