Cas no 26436-12-4 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI))

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) structure
26436-12-4 structure
Product Name:Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)
CAS No:26436-12-4
MF:C16H19N3O5
MW:333.339164018631
CID:276262
PubChem ID:33508
Update Time:2025-04-19

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)
    • Adcmc
    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,
    • 26436-12-4
    • (6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl acetate
    • DTXSID80949322
    • Inchi： 1S/C16H19N3O5/c1-6-11(17)14(22)10-8(5-24-7(2)20)16(23-3)15-9(18-15)4-19(16)12(10)13(6)21/h8-9,15,18H,4-5,17H2,1-3H3/t8-,9-,15-,16+/m1/s1
    • InChI Key： RBFIGNNUQCZRCZ-HWEUEPGHSA-N
    • SMILES： O(C)[C@]12[C@H](COC(C)=O)C3C(C(=C(C)C(C=3N1C[C@@H]1[C@H]2N1)=O)N)=O

Computed Properties

  • Exact Mass: 333.13257
  • Monoisotopic Mass: 333.13247072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 755
  • 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: 0.2
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • PSA: 120.87

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) Related Literature

Related Categories

26436-12-4 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[(acetyloxy)methyl]-6-amino-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)) Related Products

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