Cas no 2896-91-5 (Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate)

Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate structure
2896-91-5 structure
Product Name:Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
CAS No:2896-91-5
MF:C21H28N2O2
MW:340.459225654602
CID:271150
PubChem ID:12444819
Update Time:2024-02-29

Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylicacid, 7-ethyl-2,4,5,6,7,8,9,10-octahydro-, methyl ester, (3R,7S,9R)-
    • [7S,(+)]-7-Ethyl-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9β-carboxylic acid methyl ester
    • (+)-Vincadine
    • 2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (3R,7S,9R)- (9CI)
    • 2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, [7S-(7R*,9S*)]-
    • 2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylicacid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester (7CI)
    • Vincadine
    • Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-c
    • 2896-91-5
    • 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-
    • NS00094799
    • DTXSID80183168
    • Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
    • Inchi： 1S/C21H28N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-5,7-8,17,22H,3,6,9-14H2,1-2H3/t17-,21+/m1/s1
    • InChI Key： JFLTVMWSBAMWAW-UTKZUKDTSA-N
    • SMILES： O(C)C([C@H]1C2=C(C3C=CC=CC=3N2)CCN2CCC[C@@](CC)(C1)C2)=O

Computed Properties

  • Exact Mass: 340.215078140g/mol
  • Monoisotopic Mass: 340.215078140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 496
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 45.3
  • XLogP3: 3.8

Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate Related Literature

Related Categories

2896-91-5 (Methyl (13R,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate) Related Products

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