Cas no 37551-60-3 ([9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI))

[9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI) structure
37551-60-3 structure
Product Name:[9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI)
CAS No:37551-60-3
MF:C24H32N4O2
MW:408.536485671997
CID:320785
PubChem ID:442952
Update Time:2025-04-19

[9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI)
    • (1S,9S)-11-methyl-5-[(1R,9R)-11-methyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-2-en-3-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • 37551-60-3
    • Dimethamine
    • DTXSID80332018
    • CHEBI:4605
    • C10767
    • AC1L9DQ2
    • Inchi： 1S/C24H32N4O2/c1-25-9-15-7-17(13-25)21-5-3-20(24(30)27(21)11-15)19-4-6-22(29)28-12-16-8-18(23(19)28)14-26(2)10-16/h3,5,15-18H,4,6-14H2,1-2H3/t15-,16+,17-,18+/m0/s1
    • InChI Key： IHFWMWVUSYTWDE-XWTMOSNGSA-N
    • SMILES： O=C1CCC(C2=CC=C3[C@@H]4CN(C)C[C@@H](CN3C2=O)C4)=C2[C@H]3CN(C)C[C@H](CN21)C3

Computed Properties

  • Exact Mass: 408.25276
  • Monoisotopic Mass: 408.25252628g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 1
  • Complexity: 903
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 47.1?2

Experimental Properties

  • PSA: 47.1

[9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI) Related Literature

Related Categories

37551-60-3 ([9,11'-Bi-1,5-methano-8H-pyrido[1,2-a][1,5]diazocine]-8,8'-dione,1,1',2,2',3,3',4,4',5,5',6,6',9',10'-tetradecahydro-3,3'-dimethyl-,(1R,1'R,5S,5'S)- (9CI)) Related Products

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