Cas no 27164-43-8 (Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)-)

Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)- structure
27164-43-8 structure
Product Name:Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)-
CAS No:27164-43-8
MF:C16H17N3O5
MW:331.323283910751
CID:277392
PubChem ID:168664
Update Time:2025-04-19

Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)- Chemical and Physical Properties

Names and Identifiers

    • Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)-
    • (4aS)-6-methoxy-7,11-dimethyl-(4ar,10at,11at,11btN1)-4,4a,10,10a,11,11a-hexahydro-azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8-trione
    • Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimeth
    • Mitiromycin
    • 2-Hydroxy-6-methoxy-7,11-dimethyl-4,4a,10,10a,11,11a-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-5,8-dione
    • DTXSID50949910
    • 27164-43-8
    • Azirino(2',3':3,4)pyrrolo(1,2-a)(1,3)oxazino(4,5-b)indole-2,5,8(1H)-trione, 4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS-(4aalpha,10abeta,11abeta,11bR*))-
    • Inchi： 1S/C16H17N3O5/c1-6-11(20)10-9(12(21)13(6)23-3)7-5-24-15(22)17-16(7)14-8(18(14)2)4-19(10)16/h7-8,14H,4-5H2,1-3H3,(H,17,22)/t7-,8-,14-,16-,18?/m0/s1
    • InChI Key： XIEWXZTXSYSEPW-QXXTYPIOSA-N
    • SMILES： O1C(N[C@@]23[C@@H](C1)C1C(C(=C(C)C(C=1N2C[C@H]1[C@@H]3N1C)=O)OC)=O)=O

Computed Properties

  • Exact Mass: 331.11691
  • Monoisotopic Mass: 331.117
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 800
  • 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: -0.1
  • Topological Polar Surface Area: 88?2

Experimental Properties

  • Density: 1.57
  • Boiling Point: 631.3°Cat760mmHg
  • Flash Point: 335.6°C
  • Refractive Index: 1.685
  • PSA: 87.95

Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)- Related Literature

Related Categories

27164-43-8 (Azirino[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-2,5,8(1H)-trione,4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS,10aS,11aS,11bS)-) Related Products

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