Cas no 74148-44-0 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)-)

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)- structure
74148-44-0 structure
Product Name:Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)-
CAS No:74148-44-0
MF:C15H16N2O4
MW:288.298543930054
CID:565473
PubChem ID:173250
Update Time:2025-04-19

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)- Chemical and Physical Properties

Names and Identifiers

    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)-
    • 10-decarbamoyloxy-9-dehydromitomycin B
    • Mitomycin H
    • 10-decarbamoyloxy-9-dehydro-mitomycin B
    • VZIAQNJZWSNNKZ-ZDAIXBBBSA-N
    • 10-Decarbamoyloxy-9-dehydromitomycin-B
    • (4S,6S,7R)-7-hydroxy-11-methoxy-5,12-dimethyl-8-methylidene-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione
    • DTXSID80995586
    • 8a-Hydroxy-6-methoxy-1,5-dimethyl-8-methylidene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-, (1aR-(1aalpha,8aalpha,8balpha))-
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-, (1aS-(1aalpha,8aalpha,8balpha))-
    • CHEMBL35952
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-8a-hydroxy-6-methoxy-8-methylene-, (1aS-(1a-alpha,8a-alpha,8b-alpha))-
    • 74148-44-0
    • Inchi: 1S/C15H16N2O4/c1-6-11(18)10-9(12(19)13(6)21-4)7(2)15(20)14-8(16(14)3)5-17(10)15/h8,14,20H,2,5H2,1,3-4H3
    • InChI Key: VZIAQNJZWSNNKZ-UHFFFAOYSA-N
    • SMILES: COC1C(=O)C2C(C3(N(C=2C(=O)C=1C)CC1N(C31)C)O)=C

Computed Properties

  • Exact Mass: 288.111
  • Monoisotopic Mass: 288.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 705
  • 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
  • XLogP3: -0.1
  • Topological Polar Surface Area: 69.8?2

Experimental Properties

  • Density: 1.48
  • Boiling Point: 494.8°C at 760 mmHg
  • Flash Point: 253°C
  • Refractive Index: 1.675

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-8-methylene-,(1aS,8aR,8bS)- Related Literature

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